June 11, 1999

Ludwik Adamowicz

Publications

1.	L. Adamowicz and J. Sadlej, Semiempirical Calculations for Interacting Molecular Systems. IV. Molecular electrostatic potential for oxygen donors of electrons, Adv. Mol. Relax and Inter. Proc. 10, 283 (1977).
2.	L. Adamowicz and A.J. Sadlej, Perturbation Calculation of Molecular Correlation Energy Using Gaussian Geminals. Second and third order pair energy for H2, J. Chem. Phys. 67, 4398 (1977).
3.	L. Adamowicz and A.J. Sadlej, Gaussian Geminal Basis Set Optimization with Crude SCF Reference State, Chem. Phys. Lett. 48, 305 (1977).
4.	L. Adamowicz, A Comparative Analysis of Pair Equations for H2 Molecule, Int. J. Quant. Chem. 13, 265 (1978).
5.	L. Adamowicz, Gaussian Geminals Applied for the Molecular Correlation Energy Calculations, Acta Phys. Pol. A53, 471 (1978).
6.	L. Adamowicz and A.J. Sadlej, Perturbation Calculation of Molecular Correlation Energy Using Gaussian Geminals, Second Order Pair Energies of LiH and BH, J. Chem. Phys. 69, 3992 (1978).
7.	L. Adamowicz and A.J. Sadlej, Perturbation Calculations of Molecular Correlation Energy Using Gaussian Geminals. Second Order Pair Energies of the First Row Diatomic Hydrides from Minimal Gaussian Geminal Basis Set, Acta Physica Pol. A54, 73 (1978).
8.	L. Adamowicz and A.J. Sadlej, Second Order Correlation Correction to the Coupled HartreeFock Polarizability of Be, Chem. Phys. Lett. 53, 377 (1978).
9.	K. Szalewicz, L. Adamowicz and A.J. Sadlej, Molecular Electronic Polarizabilities. CI and Explicitly Correlated ElectricFieldVariant Functions, Chem. Phys. Lett. 61, 548 (1979).
10.	M. Jaszunski and L. Adamowicz, Generation of Basis Sets for the Calculation of Molecular Magnetic Properties, Chem. Phys. Lett. 79, 133 (1981).
11.	L. Adamowicz, Basis Set Generation for SCF Calculation, Int. J. Quant. Chem. 19, 545 (1981).
12.	L. Adamowicz, Thermal Curve Interpretation by Spectral Resolution into the Basis Set of Rectangular Pulse Curves, J. Thermal Analysis 22, 199 (1982).
13.	L. Adamowicz and W. Zielenkiewicz, Thermal Curve Interpretation by Spectral Resolution into the Basis Set of Rectangular Pulse Curves. II. Modification of the Algorithm and Analysis of the Efficiency of the Method, J. Thermal Analysis 26/1, 217 (1983).
14.	L. Adamowicz and W. Zielenkiewicz, Thermal Curve Interpretation by Spectral Resolution into a Basis Set of Rectangular Pulse Curves. III. And what if Identification Pulses are not Rectangular?, J. Thermal Analysis 26/2, 39 (1983).
15.	L. Adamowicz and E.A. McCullough, Jr., A Numerical MultiConfiguration SelfConsistentField Method for Diatomic Molecules, J. Chem. Phys. 75, 2475 (1981).
16.	L. Adamowicz and E.A. McCullough, Jr., Molecular Basis Set Generation: Accurate Basis Set for LiH Ground and Excited State and Li Ground State, Int. J. Quant. Chem. 24, 19 (1983).
17.	L. Adamowicz and E.A. McCullough, Jr., N2Time Dependent SCF Scheme, Int. J. Quant. Chem. 24, 373 (1984).
18.	L. Adamowicz and E.A. McCullough, Jr., Numerical MCSCF Calculation on the First Excited State of LiH, J. Phys. Chem. 88, 2045 (1984).
19.	L. Adamowicz and R.J. Bartlett, New Efficient Numerical Method for Solving Pair Correlation Equations for Diatomic Molecules, Int. J. Quant. Chem. 24, 213 (1984).
20.	L. Adamowicz and R.J. Bartlett, Extended Floating Spherical Gaussian Basis Set for Molecules. I. Generation Procedure and Results for H2O, Chem. Phys. Lett. 105, 167 (1984).
21.	L. Adamowicz and E.A. McCullough, Jr., High Excited States of Dipole Bound Anions of Polar Diatomic Molecules, Chem. Phys. Lett. 107, 72 (1984).
22.	L. Adamowicz, W.D. Laidig and R.J. Bartlett, Analytical Gradients for the Coupled Cluster Method, Int. J. Quant. Chem. Symp. 18, 245 (1984).
23.	L. Adamowicz and R.J. Bartlett, Extended Floating Spherical Gaussian Basis Set for Molecules. II. FSGOs for Molecular Correlation Energy Calculation, Chem. Phys. Lett. 110, 361 (1984).
24.	L. Adamowicz and R.J. Bartlett, Extended Floating Spherical Gaussian Basis Set for Molecules III. FSGO Basis for use in Advanced Correlation Calculations of Electronic Structure, Chem. Phys. Lett. 110, 365 (1984).
25.	L. Adamowicz, LCAO Results for the Negative Spectrum of the Ground State Fock Operator for the LiH Molecule, Acta Phys. Pol. A67/5, 1147 (1985).
26.	L. Adamowicz, R.J. Bartlett and E.A. McCullough, Jr., Towards Basis Set Independent Solutions for the Diatomic Coupled Cluster Equations, Phys. Rev. Lett. 54, 426 (1985).
27.	L. Adamowicz and R.J. Bartlett, Optimized Virtual Orbital Space for HighLevel Correlated Calculations, J. Chem. Phys. 86, 6314 (1987).
28.	L. Adamowicz and R.J. Bartlett, Direct Coupled Cluster Calculations on Excited States, Int. J. Quant. Chem. Symp. 19, 217 (1986).
29.	L. Adamowicz and R.J. Bartlett, Coupled Cluster Calculations with Numerical Orbitals on Ground and First Excited States of Molecular Diatomic Anions: LiH and BeO, J. Chem. Phys. 83, 6268 (1985).
30.	L. Adamowicz and R. J. Bartlett, Very Accurate Coupled Cluster Calculations for Diatomic Systems with Numerical Orbitals, in Applied Quantum Chemistry, Ed. V. Smith, pp. 111133, Reidel Pub. Co., 1985.
31.	E.A. Salter, L. Adamowicz and R.J. Bartlett, Coupled Cluster and MBPT Study of Nickel States, Chem. Phys. Lett. 122, 23 (1985).
32.	L. Adamowicz and R.J. Bartlett, Numerical Coupled HartreeFock Study of the Total (Electronic and Nuclear) Parallel Polarizability and Hyperpolarizability for the FH, H, HD+ and D Molecules, J. Chem. Phys. 84, 4988 (1986).
33.	L. Adamowicz and R.J. Bartlett, Accurate Numerical Orbital MBPT/CC Study of the Electron Affinity of Fluorine and the Dissociation Energy of Hydrogen Fluoride, J. Chem. Phys. 84, 6837 (1986).
34.	L. Adamowicz and R.J. Bartlett, Coupled Cluster Calculation on Electron Affinities of LiF, Chem. Phys. Lett. 129, 159 (1986).
35.	L. Adamowicz, J.C. Ellenbogen and E.A. McCullough, Jr., ExtendedKoopmans Theorem Approach to Abinitio Calculations upon the Ground State of the LiH anion, Int. J. Quant. Chem. 30, 617 (1986).
36.	L. Adamowicz and R.J. Bartlett, MBPT and Coupled Cluster Calculation on the Neon Atom with Numerical Orbitals, Int. J. Quant. Chem. Symp. 31, 173 (1987).
37.	E.A. Salter, L. Adamowicz and R.J. Bartlett, Comment on MBPT/CC Nickel Calculations, Chem. Phys. Lett. 130, 152 (1986).
38.	A. Jaworski, W.B. Person, L. Adamowicz and R.J. Bartlett, Study of Conformation of the Dilitioacetylene Molecule, Int. J. Quant. Chem. Symp. 21, 613 (1987).
39.	L. Adamowicz, R.J. Bartlett, J.S. Kwiatkowski and W.B. Person, Theoretical Study on PO, PO and PO+, Theoret. Chim. Acta 73, 135 (1988).
40.	L. Adamowicz and R.J. Bartlett, Excited State Electron Affinities of NaF, LiCl and NaCl, J. Chem. Phys. 88, 313 (1988).
41.	L. Adamowicz and R.J. Bartlett, Very Accurate Correlated Calculations on Diatomic Molecules with Numerical Orbitals. The Hydrogen Fluoride Molecule, Phys. Rev. A37, 1 (1988).
42.	L. Adamowicz, R. J. Bartlett and A. J. Sadlej, Optimized Virtual Orbital Space for HighLevel Correlated Calculations II. Electric Properties, J. Chem. Phys. 88, 5749 (1988).
43.	L. Adamowicz, Very Accurate Calculations for Diatomic, Neutral and Anionic Systems with Numerical Orbitals. Proceedings of the NATO ARE, Reidel, 19 Proceedings of the NATO ARE, Reidel, 1989.
44.	T. Pluto, R.J. Bartlett and L. Adamowicz, Numerical HartreeFock Characterization of Metastable States of the He Anion, Int. J. Quantum Chem. Symp. 22, 225 (1988).
45.	R.S. Glass, L. Adamowicz and J.L. Broker, Theoretical Studies on Transannular SS Interactions in Geometrically Constrained 1,5Diphiocane Derivatives, J. Mol. Structure (Theochem) 186, 273 (1989).
46.	L. Adamowicz, Numerical MCSCF Study of the Total (Electronic and Nuclear) Parallel Polarizability and Hyperpolarizability for the H2, HD and D2 Molecules, Molecular Physics 65, 1047 (1988).
47.	L. Adamowicz, Numerical MCSCF Study of the Total (Electronic and Nuclear) Parallel Polarizability and Hyperpolarizability for the OH, OH+ and OH, J. Chem. Phys. 89, 6305 (1988).
48.	L. Adamowicz, Electronic Structure of Polyatomic Systems Determined with FirstOrder Correlation Orbitals. Very Accurate Calculations on TenElectron Molecules, J. Phys. Chem., 93, 1780 (1989).
49.	L. Adamowicz, Determination of the Relative Stability of Fluorocytosine Tautomers with Single and Double Excitation Coupled Cluster (CCSD) Method, Chem. Phys. Lett. 153, 147 (1988), 156, 628 (1989).
50.	N. Yu, H. Wing and L. Adamowicz, Hyperfine Structure in the Infrared Spectrum of 3He4He+, Phys. Rev. Lett. 62, 253 (1989).
51.	N. Yu and L. Adamowicz, Numerical MCSCF Study on the Hyperfine Structure in the Infrared Spectrum of 3He4He+, J. Chem. Phys. 90, 4392 (1989).
52.	A. Le, L. Adamowicz and R.J. Bartlett, The Relative Stability of Cytosine Tautomers with the Coupled Cluster Method and FirstOrder Correlation Orbitals, J. Phys. Chem. 93, 4001 (1989).
53.	L. Adamowicz, Coupled Cluster Method with FirstOrder Correlation Orbitals vs. MultiReference Configuration Interaction Method. Accurate Calculations for HF, H2O and NH3, J. Comput. Chemistry 10, 928 (1989).
54.	L. Adamowicz and C. Frum, Electronic Structure of Polyatomic Systems Determined with FirstOrder Correlation Orbitals, Coupled Cluster Calculations on Lithium Cyanide. Chem. Phys. Lett. 157, 496 (1989).
55.	T. Pluto, R.J. Bartlett and L. Adamowicz, Metastable He and its Autodetachment Spectra: An Accurate Coupled Cluster Study. Phys. Rev. A 40, 2253 (1989).
56.	A. Le and L. Adamowicz, The OxyHydroxy Tautomerism of Uracil and 5Fluorouracil, J. Phys. Chem. 93, 7078 (1989).
57.	A. Le and L. Adamowicz, Which Tautomeric Form of 5Methylcytosine Predominates in a Vacuum? J. Mol. Structure 221, 209 (1990).
58.	L. Adamowicz, Tautomeric Equilibria of 2Pyridone/2Hydroxypiridine. AbInitio Coupled Cluster Calculations with FirstOrder Correlation Orbitals, Chem. Phys. Lett. 161, 73 (1989).
59.	L. Adamowicz and J. Kurtz, Theoretical Studies of C5 with First-Order Correlation Orbitals and the Coupled Cluster Method, Chem. Phys. Lett. 162, 343 (1989).
60.	A. Le and L. Adamowicz, The Tautomerism of 2- and 4-Thiouracil. AbInitio Theoretical Study, J. Am. Chem. Soc. 112, 1504 (1990).
61.	L. Adamowicz, Dipole-Bound State of Nitromethane. Ab-Initio Coupled Cluster Study with First Order Correlation Orbitals, J. Chem. Phys. 91, 7787 (1989).
62.	L. Lapinski, M.J. Nowak, J. Fulara, A. Le and L. Adamowicz, Experimental and Theoretical Studies on the IR Spectra of 5-Methylcytosine, J. Phys. Chem. 94, 6555 (1990).
63.	N. Oliphant and L. Adamowicz, Coupled Cluster Calculations for the BC Molecule Using Numerical Correlation Orbitals, Chem. Phys. Lett. 168, 126 (1990).
64.	A. Le and L. Adamowicz, Theoretical Ab-Initio Study of the Protomeric Tautomerism of 2-hydroxypyrimidine, 4-hydroxypyrimidine and Their Derivatives, J. Phys. Chem. 94, 7021 (1990).
65.	M.J. Nowak, L. Lapinski, H. Rostkowska, A. Le and L. Adamowicz, Theoretical and Matrix-Isolation Experimental Study on 2(1H)-Pyridinethione/2-Pyridinethiol, J. Phys. Chem. 94, 7406 (1990).
66.	L. Adamowicz, First-Order Correlation Orbitals for the Spin-unrestricted HartreeFock (UHF) Zero-order Wave Function. Electron Affinities of C4 Clusters, J. Chem. Phys. 93, 6685 (1990).
67.	Z. Slanina and L. Adamowicz, Temperature Isomeric Interplay in the 2-Pyridone/2 Hydroxypyridine System: Thermodynamically-Consistent Treatment, Thermochimica Acta 177, 101 (1991).
68.	J. Kurtz and L. Adamowicz, Theoretical Vibrations of Carbon Chains C3, C4, C5, C6, C7, C8 and C9, Astrophysical Journal 370, 784 (1991).
69.	M.J. Nowak, L. Lapinski, J. Fulara, A. Le and L. Adamowicz, Theoretical and Infrared Matrix-isolation Study on 4(3H)-Pyrimidinethione and 3(2H)-Pyridazinethione-Tautomerism and Phototautomerism, J. Phys. Chem. 95, 2404 (1991).
70.	L. Adamowicz, Electron Affinities of Small Linear Carbon Clusters. Coupled Cluster Calculations with First-Order Correlation Orbitals, J. Chem. Phys. 94, 1241 (1991).
71.	A. Le and L. Adamowicz, Theoretical Study of Simple Electron Transfer Reactions Involving Oxo Radicals and Anions, Chem. Phys. Lett. 175, 187 (1990).
72.	N. Oliphant and L. Adamowicz, Multi-Reference Coupled-Cluster Method Using a Single-Reference Formalism, J. Chem. Phys. 94, 1229 (1991).
73.	D.J. Pauley, M.A. Roehrig, L. Adamowicz, J.C. Shea, S.T. Haubrich and S.G. Kukolich, Microwave Measurements and Theoretical Calculations on the Structures of NNO-HCL Complexes, J. Chem. Phys. 94, 899 (1991).
74.	R.S. Glass, L. Adamowicz and J.L. Broker, Theoretical Studies on Transannular SS Interactions in Geometrically Constrained 1,5-Dithiocane Derivatives, J. Am. Chem. Soc. 113, 1065 (1991).
75.	L. Adamowicz, NNO-HCl Complex. Ab-Initio Calculations with the Coupled Cluster Method and First-Order Correlation Orbitals, Chem. Phys. Lett. 176, 249 (1991).
76.	A.-M. Martensson-Pendrill, S.A. Alexander, L. Adamowicz, N. Oliphant, J. Olsen, P. Öster, H.M. Quiney, S. Salomonson, D. Sundholm, Beryllium Revisited, Phys. Rev. A 43, 3355 (1991).
77.	E.R. Davidson, D. Feller, C.M. Boyle, L. Adamowicz, S.A.C. Clark and C.E. Brion, Hartree-Fock Limit and Configuration Interaction Calculations of the Ion-Molecule Overlap Amplitude for Hydrogen Fluoride: Comparison with EMS Experiments, Chem. Phys. 147, 45 (1990).
78.	J. Fulara, M.J. Nowak, L. Lapinski, A. Le and L. Adamowicz, Theoretical and Matrix-isolation Experimental Study of the Infrared Spectra of 5-Azauracil and 6-Azauracil, Spectrochimica Acta 47A, 595 (1991).
79.	A. Le and L. Adamowicz, The Correlated Molecular Electrostatic Potential and Electric Field of 2(1H-Pyrimidone and 2-Hydroxypyrimidine, Chem. Phys. 153, 409 (1991).
80.	Z. Slanina and L. Adamowicz, On Thermodynamic Consequences of the ThreeFold Isomerism in the LiCN System, Thermochimica Acta 184, 109 (1991).
81.	L. Adamowicz, Metastable Optical Excitations of Linear C, Chem. Phys. Lett. 180, 466 (1991).
82.	L. Adamowicz and T. Pluto, Numerical Hartree-Fock Study on the Rydberg-like Excitations of He, Chem. Phys. Lett. 179, 517 (1991).
83.	L. Adamowicz, Stable and Metastable Photoexcitations of Linear C. Theoretical Study, Chem. Phys. Lett. 182, 45 (1991).
84.	L. Adamowicz and T. Pluto, Metastable He Ions Formed by Two-Electron Attachment to the Excited He 2 (1 2) Core, Phys. Rev. A. 44, 2860 (1991).
85.	L. Adamowicz, Optical Excitations of Linear C, Chem. Phys. 156, 387 (1991).
86.	N. Oliphant and L. Adamowicz, Coupled Cluster Method Truncated at Quadruples, J. Chem. Phys. 95, 6645 (1991).
87.	P.M. Kozlowski and L. Adamowicz, An Effective Method for Generating Nonadiabatic ManyBody Wave Functions Using Explicitly Correlated GaussianType Functions, J. Chem. Phys. 95, 6681 (1991).
88.	L. Adamowicz, Optimized Second-Order Correlation Orbital Manifold for Single Excitations in the Coupled Cluster Method, Int. J. Quantum Chem. Symp. 25, 71 (1991).
89.	A. Le and L. Adamowicz, First-Order Correlation Orbitals for the MCSCF ZeroOrder Wave Function, Chem. Phys. Lett. 183, 483 (1991).
90.	L. Adamowicz, Photoexcitations of the Si Anion, Chem. Phys. Lett. 185, 244 (1991).
91.	L. Adamowicz, Theoretical Study of Doubly Charged Negative Ions of Elemental Clusters. Stability of C¯, J. Chem. Phys. 95, 8669 (1991).
92.	H. Saint-Martin, I. Ortega-Blake, A. Le and L. Adamowicz, Abinitio Calculations of the Pyrophosphate Hydrolysis Reaction, Biochimica et Biophysica Acta 1080, 205 (1991).
93.	Z. Slanina, L. Adamowicz, D. Bakowies and W. Thiel, Fullerene C50 Isomers: Temperature-Induced Interchange of Relative Stabilities, Thermochimica Acta 202, 249 (1992).
94.	M. Nowak, L. Lapinski, Jan Fulara, A. Le and L. Adamowicz, Matrix Isolation IR Spectroscopy of Tautomeric Systems and its Theoretical Interpretation. 2-Hydroxy-pyridine/2(1H)-Pyridinone, J. Phys. Chem. 96, 1562 (1992).
95.	L. Adamowicz, Stable and Metastable State of the Si Anion. Theoretical Study. Chem. Phys. Lett. 188, 131 (1992).
96.	Z. Slanina, A. Le and L. Adamowicz, Dimerization in the Pyridone/Hydroxypyridine Tautomeric Systems: Relative Stabilities of the Dimers in the 2-Pyridone/2-Hydroxypyridine and in the 4-Pyridone/4-Hydroxypyridine Systems, J. Mol. Structure 257, 491 (1992).
97.	N. Oliphant and L. Adamowicz, The Implementation of a Multi-Reference Coupled-Cluster Method Using a Single-Reference Formalism, J. Chem. Phys. 97, 3739 (1992).
98.	N. Oliphant and L. Adamowicz, Converging the Single-Reference Coupled-Cluster Equations, Chem. Phys. Lett. 190, 13 (1992)
99.	Z. Slanina and L. Adamowicz, On Relative Stabilities of Dodecahedron- and Bowl-Shaped Structures of C20, Thermochimica Acta 205, 299 (1992). (Also appeared in Mat.Res.Soc.Symp.Proc. VOL. 270, NOVEL FORMS OF CARBON, Ed. C.L. Renschler, J. Pouch, D. Cox, Materials Research Society, Pittsburgh, 1992, pp. 215-220.)
100.	P.M. Kozlowski and L. Adamowicz, MultiCenter and Multi-Particle Integrals for Explicitly Correlated Gaussian-type Functions, J. Comp. Chem. 13, 602 (1992).
101.	N. Oliphant and L. Adamowicz, Multi-reference Coupled Cluster Method Based on the Single Reference Formalism, Int. Rev. Phys. Chem. 12, 339 (1993).
102.	Z. Slanina, J. Kurtz and L. Adamowicz, Is the C8 Ring Nonplanar?, Mol. Phys. 76, 387 (1992).
103.	L. Adamowicz, C2H2-CO Complex. Ab-Initio Calculations with the Coupled Cluster Method and First-Order Correlation Orbitals, Chem. Phys. Lett. 192, 199 (1992).
104.	Z. Slanina and L. Adamowicz, HHO-HCN and CO-C2H2: Two Associating Systems with Remarkable Low-Temperature Relative-Stability Interchanges, J. Mol. Struct. (Theochem) 276, 133 (1992).
105.	P.M. Kozlowski and L. Adamowicz, Implementation of Analytical First Derivatives for Evaluation of the Many-Body Non-adiabatic Wave Function with Explicitly Correlated Gaussian Functions, J. Chem. Phys. 96, 9013 (1992).
106.	J. Millam and L. Adamowicz, Numerical Hartree-Fock Characterization of the Metastable 4u State of the Ne Anion, Phys. Rev. A 46, 2325 (1992).
107.	Z. Slanina, F. Uhlík, J. Kurtz and L. Adamowicz, An Analytical Solution of Isotopomeric Enumerations of C2v Cyclic Odd-Numbered Carbon Clusters Cn, J. Math. Chem. 170, 107 (1993).
108.	A. Le, L. Adamowicz, M.J. Nowak and L. Lapinski, Theoretical Interpretation of the Gas Phase Equilibrium of 2-Hydroxypyridine/2(1H)-Pyridinone, J. Mol. Structure 277, 313 (1992).
109.	L. Adamowicz, NNO-HCN Complex. Ab-Initio Calculations with the Coupled Cluster Method and First-Order Correlation Orbitals, Chem. Phys. 165, 281 (1992).
110.	L. Lapinski, M.J. Nowak, J. Fulara, A. Le and L. Adamowicz, The Relation Between Structure and Tautomerism in Diazinones and Diazinethiones. An Experimental Matrix-Isolation and Theoretical AbInitio Study, J. Phys. Chem. 96, 6250 (1992).
111.	A. Le, L. Adamowicz, M.J. Nowak and L. Lapinski, Assignment of the MatrixIsolation IR Spectra of Uracil and Thymine Based on New Ab-Initio Theoretical Calculations, Spectrochim. Acta 48A (10), 1385 (1992).
112.	Z. Slanina and L. Adamowicz, A Computational Study of the Ozone Dimer, J. Atmos. Chem. 16, 41 (1993).
113.	P.M. Kozlowski and L. Adamowicz, Newton-Raphson Optimization of the Many Body Non-Adiabatic Wave Function Expressed in Terms of Explicitly Correlated Gaussian Functions, J. Chem. Phys. 97, 5063 (1992).
114.	Z. Slanina, J. Kurtz and L. Adamowicz, A Computational Response to the C7 Experimental Challenge: Low-Energy C2v Isomer, Chem. Phys. Lett. 196, 208 (1992).
115.	H. Rostkowska, M.J. Nowak, L. Lapinski, M. Bretner, T. Kulikowski, A. Le and L. Adamowicz, Infrared Spectra of 2-Thiocytosine and 5-Fluoro-2-Thiocytosine; Experimental and Ab-Initio Studies, Spectrochim. Acta Part A, 49A, 551 (1993).
116.	Z. Slanina and L. Adamowicz, MNDO Study of Charged Complexes of Dodecahedron-Shaped C20 with Li, J. Mol. Structure 281, 33 (1993).
117.	A. Le, L. Adamowicz and W. Rode, Structure and Conformation of N4-Hydroxy-5- Fluoro-Cytosine. A Theoretical Ab-Initio Study, Biochimica et Biophysica Acta 1173, 39 (1993).
118.	E. Schwegler, P.M. Kozlowski and L. Adamowicz, Application of Explicitly Correlated Gaussian Functions for Calculations of the Ground State of the Beryllium Atom, J. Comp. Chem. 14, 566 (1993).
119.	H. Rostkowska, M.J. Nowak, L. Lapinski, M. Bretner, T. Kulikowski, A. Le and L. Adamowicz, Theoretical and Matrix-Isolation Experimental Studies on 2-Thiocytosine and 5-Flouro-2-Thiocytosine, Biochimica et Biophysica Acta 1172, 239 (1993).
120.	Z. Slanina and L. Adamowicz, One-, Two- and Three-Dimensional Structures of C20, Fullurene Science & Technology 1, 1 (1993).
121.	Z. Slanina and L. Adamowicz, Dedecahedron- and Bowl-Shaped Structures C20, Mat. Res. Soc. Symp. Proc. Vol. 270, 215 (1993).
122.	P.M. Kozlowski and L. Adamowicz, Non-Adiabatic Variational Calculations for the Ground State of the Positronium Molecule, Phys. Rev. A 48, 1903 (1993).
123.	Z. Slanina, J.M.L. Martin, J.-P. François and L. Adamowicz, Why Computed Entropy of Quasi-Linear Species are Sometime Random, J. Mol. Structure 280, 83 (1993).
124.	P. Piecuch, N. Oliphant and L. Adamowicz, State-Selective Multi-Reference Coupled Cluster Theory, J. Chem. Phys. 99, 1875 (1993).
125.	A. Le, L. Adamowicz and W. Rode, Mechanism of Thymidylate Synthesis Inhibition by N4-Hydroxy-(N4-Hydroxy-5-Fluoro)-dCMP In View of the Structure and Conformation of N4-Hydroxy-(N4-Hydroxy-5-Fluoro)-Cytosine Calculated by the Ab-Initio Quantum Mechanical Methods, in Chemistry and Biology of Pteridines and Folates, edited by J.E. Ayline, M.G. Nair and C.M. Baugh, Plenum Publishing Company (1994).
126.	Z. Slanina, F. Uhlík, J. Kurtz and L. Adamowicz, A Classification of 200 Isomerizations Among 51 Isotopomers of C8 (D2d), J. Radioanal. Nucl. Chem. 170, 373 (1993).
127.	Z. Slanina, F. Uhlík, J.-P. François and L. Adamowicz, Diphenylmethane Fulleroid C73H10: AM1 Computational Study, Fullurene Science & Technology 1, 189 (1993).
128.	Z. Slanina, A. Le and L. Adamowicz, The Effects of Temperature on the Relative Stabilities of Five Complexes of 4-Hydroxypyridine and Water, Thermochimica Acta 224, 13 (1993).
129.	Z. Slanina, A. Le and L. Adamowicz, Complexes of 2-Aminopyrimidine, 2-Hydroxy-pyrimidine and Their Tautomers With Water: Relative Thermodynamic Stabilities, Thermochimica Acta 228, 1 (1993).
130.	P.M. Kozlowski and L. Adamowicz, Equivalent Quantum Approach to Nuclei and Electrons in Molecules, Chem. Rev. 93, 2007 (1993).
131.	Z. Slanina, F. Uhlík, J.-P. François and L. Adamowicz, AM1 Computed Vibrations in Two C60O Structures, Spectr. Lett. 26(9), 1785 (1993).
132.	W.J. McCarthy, M.A. Roehrig, Qi-Qi Chen, G.H. Henderson, L. Adamowicz and S.G. Kukolich, Microwave Measurements and Ab-Initio Dynamics of the Large Amplitude Motion of the Ring Puckering in 2-Sulpholene, J. Chem. Phys. 99, 7305 (1993).
133.	H. Vranken, J. Smets, L. Lapinski, M.J. Nowak, L. Adamowicz and G. Maes, Infrared Spectra and Tautomerism of Isocytosine. An Ab-Initio and MatrixIsolation Study, Spectrochim. Acta Part A, 50A, 875 (1994).
134.	N.A. Oyler and L. Adamowicz, Electron Attachment to Uracil. Theoretical Study, J. Phys Chem. 97, 11122 (1993).
135.	Z. Zhang, P.M. Kozlowski and L. Adamowicz, Newton-Raphson Optimization of the Explicitly Correlated Gaussian Functions for Calculations of the Ground State of the He Atom, J. Comp. Chem. 15, 54 (1994).
136.	A. Destexhe, J. Smets, L. Adamowicz and G. Maes, Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine and Isocytosine Tautomers 1. Pyridine and Pyrimidine Complexes with H2O in Ar Matrices, J. Phys. Chem. 98, 1506 (1994).
137.	Z. Slanina, F. Uhlík, S.-L. Lee and L. Adamowicz, C60O2 Fulleroid: AM1 Computational Study, Fullerene Science & Technology 2, 73 (1994).
138.	Z. Slanina, F. Uhlík, J.-P. François and L. Adamowicz, Two C60O Structures and Their Relative Stability: AM1 Computations, Fullerene Science & Technology 1, 537 (1993).
139.	Z. Slanina, F. Uhlík and L. Adamowicz, Classification of 486 Isomerizations Among 72 12C/13C Isotopomers of Cyclic C7, J. Radioanal. Nucl. Chem. 170, 107 (1993).
140.	Z. Slanina and L. Adamowicz, Two Maxima Dependencies of Isomerism Contribution to Heat Capacity of Nitrous Oxide-Hydrogen Cyanide and Carbon Monoxide-Acetylene Systems in Low Temperature Region, Z. Phys. D.: At., Mol. Clusters 26, 338 (1993).
141.	L. Lapinski, M.J. Nowak, A. Le and L. Adamowicz, Photochemistry of MatrixIsolated 4(3H)-Pyrimidinones, J. Am. Chem. Soc. 116, 1461 (1994).
142.	Z. Slanina, S.-L. Lee, J.-P. François, J. Kurtz, L. Adamowicz and M. Smigel, A Non- Planar Cyclic Minimum-Energy Structure of Singlet C9, Mol. Phys. 81, 1489 (1994).
143.	P. Piecuch and L. Adamowicz, State-Selective Multi-reference Coupled Cluster Theory Employing Single-reference Formalism: Implementation and Application to the H8 Model System, J. Chem. Phys. 100(8), 1 (1994).
144.	N.A. Oyler and L. Adamowicz, Theoretical Ab-Initio Calculations of the Electron Affinity of Thymine, Chem. Phys. Lett. 219, 223 (1994).
145.	A. Le, L. Adamowicz, M.J. Nowak and L. Lapinski, Concerted Biprotonic Tautomerism of 2-Hydroxypyridine, J. Mol. Structure 312, 157 (1994).
146.	J. Smets, L. Adamowicz and G. Maes, Combined Matrix-Isolation FT-IR and Ab-Initio 6-31++G Study of H-bonding Complexes Between Water and Molecules Modeling Cytosine or Isocytosine, J. Mol. Struct. 322, 113 (1994).
147.	P. Piecuch and L. Adamowicz, Solving the Single-Reference Coupled-Cluster Equations Involving Highly Excited Clusters in Quasidegenerate Situations, J. Chem. Phys. 100, 5857 (1994).
148.	M.J. Nowak, A. Le and L. Adamowicz, Application of Ab-Initio Quantum Mechanical Calculations to Assign Matrix-Isolation IR Spectra of Oxopyrimidines, in Trends in Physical Chemistry, published by the Council of Scientific Information, India, 137168 (1994).
149.	A. Mordzinski, K. Kownacki, A. Le, N.A. Oyler, L. Adamowicz, F.W. Langkilde and R. Wilbrandt, Proton-Transferring Systems Studied by Vibrational Spectroscopy and Theoretical Ab-Initio Calculations: The S0 and T1 states of [2,2'-Bipyrdiine]-3,3'-diol, J. Phys. Chem. 98, 5212 (1994).
150.	P. Piecuch and L. Adamowicz, State-Selective Multi-Reference Coupled-Cluster Theory Using Multi-Configuration Self-Consistent Field Orbitals: A Model Study on H8, Chem. Phys. Lett. 221, 121 (1994).
151.	Z. Slanina, A. Le and L. Adamowicz, Complexes of 4-Aminopyrimidine and 4-Hydroxypyrimidine with Water: Computed Relative Thermodynamic Stabilities, Thermochimica Acta 231, 61 (1994)
152.	Z. Zhang and L. Adamowicz, Explicitly Correlated Gaussian Functions with r Factors for Calculations of the Ground State of the Helium Atom, J. Comp. Chem. 15, 893 (1994).
153.	Z. Slanina, S.-L. Lee, J.-P. François, J. Kurtz and L. Adamowicz, Inversion of the C8 Non-Planar Ring, Chem. Phys. Lett. 223, 397 (1994).
154.	Z. Slanina, F. Uhlík, S.-L. Lee and L. Adamowicz, C61H2 Fulleroid: AM1 Computational Study, Fullerene Sci. and Technol. 2, 13 (1994).
155.	H. Saint-Martin, I. Ortega-Blake, A. Le and L. Adamowicz, The Role of Hydration in the Hydrolysis of Pyrophosphate. A Monte-Carlo Simulation with Polarizable-type Interaction Potentials, Biochimica et Biophysica Acta 1207, 12 (1994).
156.	G. Gutsev, A. Le and L. Adamowicz, The Electronic and Geometrical Structure of Aluminum Fluoride Anions, AlF , n = 1-4, and Electron Affinities of Their Neutrals, J. Chem. Phys. 100, 8925 (1994).
157.	Z. Slanina, F. Uhlík, S.-L. Lee and L. Adamowicz, AM1 Computed Relative Equilibrium Populations of the (6/6) and (6,5) Methanobuckminsterfullerenes C60H12, Chem. Phys. Lett. 228, 490 (1994).
158.	G.H. Roehrig, N.A. Oyler and L. Adamowicz, Can Electron Attachment Change Tautomeric Equilibrium of Guanine?, Chem. Phys. Lett. 225, 265 (1994).
159.	Z. Slanina, S.-L. Lee and L. Adamowicz, C60 Functionalization Through Additions: Semiempirical MO Calculations, San Francisco Proceedings, Fullerenes Group, Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Editors K.M. Kadish and R.S. Ruoff, Electrochemical Society Meeting, San Francisco, Proceedings Volume 9424, 267, 1994.
160.	Z. Slanina, S.-L. Lee, M. Smigel, J. Kurtz and L. Adamowicz, Computations of Smaller Carbon Aggregates, San Francisco Proceedings, Fullerenes Group, Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Editors K.M. Kadish and R.S. Ruoff, Electrochemical Society Meeting, San Francisco, Proceedings Volume 9424, 213, 1994.
161.	P.M. Kozlowski and L. Adamowicz, Effective Non-Adiabatic Calculations on HD+ with Explicitly-Correlated Gaussian Functions, Int. J. Quant. Chem. 55, 245 (1995).
162.	P. Piecuch and L. Adamowicz, Breaking Bonds with the State-Selective Multi-Reference Coupled-Cluster Method, J. Chem. Phys. 102, 898 (1995).
163.	L. Lapinski, M.J. Nowak, A. Le and L. Adamowicz, Comparison of Ab-Initio HF/6-31G, HF/6-31++G and MP2/6-31G IR Spectra of 4-Pyrimidinone Tautomers with Matrix Isolation Spectra, Vibrational Spectroscopy 8, 331 (1995).
164.	A. Sobolewski and L. Adamowicz, Ab-Initio Characterization of Electronically Excited States in Highly Unsaturated Hydrocarbons, J. Chem. Phys. 102, 394 (1995) .
165.	A. Sobolewski and L. Adamowicz, Theoretical Investigations of Proton Transfer Reaction in Hydrogen Bonded Complexes of Cytosine and Water, J. Chem. Phys. 102, 5708 (1995).
166.	V. Alexandrov. P. Piecuch and L. Adamowicz, State-Selective Multi-Reference Coupled-Cluster Theory Employing the Single-Reference Formalism: Application to Excited States of H8, J. Chem. Phys. 102(8), 3301 (1995).
167.	P. Kozlowski and L. Adamowicz, Matrix Elements for and Operators over Explicitly-Correlated Cartesian Gaussian Functions, Int. J. Quant. Chem. 55, 367 (1995).
168.	A. Sobolewski and L. Adamowicz, Theoretical Investigations of the Excited-State Intramolecular Proton Transfer Reaction in N-substituted-3-hydroxypyridinones, Chem. Phys. Lett. 93, 67 (1995).
169.	Z. Zhang and L. Adamowicz, Newton-Raphson Optimization of the Explicitly- Correlated Gaussian Functions for the Ground State of the Be Atom, Int. J. Quantum Chem. 54, 281 (1995).
170.	A. Sobolewski and L. Adamowicz, Theoretical Investigations of the Proton Transfer Reaction in Hydrogen-Bonded Complexes of Cytosine with HNO, Chem. Phys. Lett. 234, 94 (1995).
171.	J. Smets, L. Adamowicz and G. Maes, Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine or Isocytosine Tautomers 2. 4-NH2-Pyridine and 4-NH2-Pyrimidine Complexes with H2O in AR Matrices, J. Phys. Chem. 99, 6387 (1995).
172.	A. Sobolewski and L. Adamowicz, Theoretical Investigations of the Proton Transfer Reaction in the Hydrogen-Bonded Complexes of 2-Pyrimidinone with Water, J. Phys. Chem. 99, 14277 (1995).
173.	G.H. Roehrig, N.A. Oyler and L. Adamowicz, Electron Affinity of Adenine. Theoretical Study, J. Phys. Chem. 99, 14285 (1995).
174.	F. Buyl, J. Smets, G. Maes and L. Adamowicz, Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine or Isocytosine Tautomers 3. Complexes of 4-OH-Pyridine and 3-OH-Pyridine with H2O in Ar Matrices, J. Phys. Chem. 99, 14967 (1995).
175.	P. Borowicz, A. Grabowska, K. Kaczmarek, A. Le and L. Adamowicz, Synthesis, Photophysics and Theoretical Ab-Initio Calculations of a Bizwitterionic Compound Modeling the Phototautomer of Bipyridol-Diol,  Chem. Phys. Lett. 239, 282 (1995).
176.	K. Jackowski, A. Le , A. Dabska and L. Adamowicz, GIAO-CHF and Experimental Study of the Substituent Effects on 13C Magnetic Shielding in Benzene Derivatives, Pol. J. Chem. 72(75), 1624 (1998).
177.	K.B. Ghose and L. Adamowicz, Use of Recursively Generated Intermediates in State-Selective Multi-reference Coupled-Cluster Method: A Numerical Example, J. Chem. Phys. 103, 9324 (1995).
178.	G.L. Gutsev and L. Adamowicz, The Structure of the CF Anion and the Electron Affinity of the CF4 Molecule, J. Chem. Phys. 102, 9309 (1995).
179.	Z. Slanina, S.-L. Lee, M. Smigel, J. Kurtz and L. Adamowicz, Smaller Carbon Clusters: Linear, Cyclic, Polyhedral, in SCIENCE AND TECHNOLOGY OF FULLERENE MATERIALS, Eds. P. Bernier, D.S. Bethune, L.Y. Chiang, T.W. Ebbesen, R.M. Metzger and J.W. Mintmire, Materials Research Society, Pittsburgh, 163-168 (1995).
180.	Z. Slanina, M.-L. Sun, S.-L. Lee and L. Adamowicz, The Fullerene Neighbors, in SCIENCE AND TECHNOLOGY OF FULLERENE MATERIALS, Eds. P. Bernier, D.S. Bethune, L.Y. Chiang, T.W. Ebbesen, R.M. Metzger and J.W. Mintmire, Materials Research Society, Pittsburgh, 175-180, (1995).
181.	W.J. McCarthy, L. Lapinski, M.J. Nowak and L. Adamowicz, Anharmonic Contributions to the Inversion Vibration in 2-Aminopyrimidine, J. Chem. Phys. 103, 656 (1995).
182.	G. Gutsev, A. Sobolewski and L. Adamowicz, Theoretical Study on the Structure of Acetonitrile (CH3CH) and its Anion (CH3CH¯), Chem. Phys. 196, 1 (1995).
183.	G.L. Gutsev and L. Adamowicz, Relationship Between the Dipole Moments and the Electron Affinities for Some Polar Organic Molecules, Chem. Phys. Lett. 235, 377 (1995).
184.	A. Sobolewski and L. Adamowicz, Photophysics of 2-hydroxypyridine: An Ab-Initio Study, J. Phys. Chem. 100, 3933 (1996).
185.	G.L. Gutsev and L. Adamowicz, The Electronic and Geometrical Structure of Dipole-Bound Anions Formed by Polar Molecules, J. Phys. Chem. 99, 13412 (1995).
186.	G.L. Gutsev and L. Adamowicz, The Valence and Dipole-Bound States of the Cyanomethide Ion, CH2CN¯, Chem. Phys. Lett. 246, 245 (1995).
187.	K.B. Ghose, P. Piecuch and L. Adamowicz, Improved Computational Strategy for the State-Selective Coupled-Cluster Theory with Semi-Internal Triexcited Clusters: Potential Energy Surface of HF Molecule, J. Chem. Phys. 103, 9331 (1995).
188.	J. Smets, L. Adamowicz and G. Maes, Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine and Isocytosine Tautomers. 5.1-CH3-Cytosine Complexes with H2O in Ar Matrices, J. Phys. Chem. 100, 6434 (1996).
189.	K. Schoone, L. Houben, J. Smets, L. Adamowicz and G. Maes, Matrix-Isolation FT-IR and Ab-Initio 6-31++G Study of 1-CH3-Adenine Tautomerism, Spectrochimica Acta A52, 383 (1996).
190.	L. Lapinski, D. Prusinowska, M.J. Nowak, M. Bretner, K. Felczak, G. Maes and L. Adamowicz, Infrared Spectra of 6-aza-Thiouracils: An Experimental Matrix-Isolation and Theoretical Ab-Initio Study, Spectrochimica Acta 52, 645 (1996).
191.	M.-L. Sun, Z. Slanina, S.-L. Lee, F. Uhlik and L. Adamowicz, AM1 Computations on Seven Isolated-Pentagon-Rule Isomers of C80, Chem. Phys. Lett. 246, 66 (1995).
192.	A. Le and L. Adamowicz, Ab-Initio Calculations of Biomolecules. Proceedings of the CAM '94 Physics Meeting in Cancun, Mexico, AIP Conference Proceedings 342, 190 (1995).
193.	K.B. Ghose, P. Piecuch, S. Pal and L. Adamowicz, State-Selective Multireference Coupled-Cluster Theory: In Pursuit of Property Calculation, J. Chem. Phys. 104, 6582 (1996).
194.	D. Prusinowska, L. Lapinski, M.J. Nowak and L. Adamowicz, Tautomerism, Phototautomerism and Infrared Spectra of Matrix-Isolated 2-Quinolinethione, Spectrochemica Acta Part A 51, 1809 (1995).
195.	G.H. Maes, J. Smets and L. Adamowicz, Combined Matrix-Isolation FT-IR and Ab-Initio 6-31++G Studies on the Tautomerism and H-Bonding Properties of Nucleic Acid Bases and Simpler Model Molecules, Proceedings of the NATO-ASI on Low Temperature Molecular Spectroscopy, Edited by R. Fausto, Kluwer, Vol. 483, 147-167 (1996)
196.	P. Kozlowski and L. Adamowicz, Lifetime of Positronium Molecule. Study with Boys Explicitly-Correlated Gaussian, J. Phys. Chem. 100, 6266 (1996)
197.	A. Sobolewski and L. Adamowicz, Double-Proton-Transfer in [2,2-Bipyridine]-3,3'-Diol: An Ab-Initio Study, Chem. Phys. Lett. 252, 33 (1996).
198.	M.-L. Sun, Z. Slanina, S.-L. Lee, F. Uhlik and L. Adamowicz, The IPR Isomers of C80: SAM1 Computations, in PHYSICS AND CHEMISTRY OF FULLERENES AND THEIR DERIVATIVES, Eds. H. Kuzmany, J. Fink, M. Mehring and S. Roth, World Sci. Publ., Singapore, 63-66 (1995).
199.	Z. Slanina, M.-L. Sun, S.-L. Lee and L. Adamowicz, Fullerenes as Multi-Isomeric Mixtures: Computational Studies of the C76 and C80 Cases, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, FULLERENE'S GROUP, Proceedings Volume 95-10, 1138-1149, Eds. K.M. Kadish and R.S. Ruoff, Pennington (1995).
200.	Z. Slanina, S.-L. Lee, J. Kurtz and L. Adamowicz, Computations of Small C8 and C8H Species, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, FULLERENE'S GROUP, Proceedings Volume 95-10, 1194-1205, Eds. K.M. Kadish and R.S. Ruoff, Pennington (1995).
201.	Z. Slanina, F. Uhlik, S.-L. Lee and L. Adamowicz, Computing Stabilities of Fullerene Heteroanalogies: The B32 and C60O2 Case Studies, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, FULLERENE'S GROUP, Proceedings Volume 95-10, 1206-1217, Eds. K.M. Kadish and R.S. Ruoff, Pennington (1995).
202.	J. Smets, W.J. McCarthy and L. Adamowicz, Dipole-Bound Electron Attachment of Uracil-Water Complex. Theoretical Ab-Initio Study, J. Phys. Chem. 100, 14655 (1996).
203.	J. Smets, W.J. McCarthy and L. Adamowicz, Water Molecules Enhances Dipole-Bound Electron Affinity of 1-Methyl-Cytosine, Chem. Phys. Lett. 256, 360 (1996).
204.	Y. Elkadi and L. Adamowicz, Dipole-Bound Electron Attachment to Ethylene Glycol Dimer. Theoretical Ab-Initio Study, Chem. Phys. Lett. 261, 507 (1996).
205.	L. Adamowicz and J.-P. Malrieu, Multi-Reference Self-Consistent Size-Extensive State-Selective Configuration Interaction, J. Chem. Phys. 105, 9240 (1996).
206.	L. Adamowicz, R. Caballol, J.-P. Malrieu and J. Meller, A General Bridge Between Configuration Interaction and Coupled-Cluster Methods: A Multistate Solution, Chem. Phys. Lett. 259, 619 (1996).
207.	L. Houben, K. Schoone, J. Smets, L. Adamowicz and G. Maes, Combined Matrix-Isolation FT-IR and Ab-Initio 6-31++G Studies on Tautomeric Properties of Nucleic Acid Bases and Simpler Model Molecules, J. Mol. Struct. 410411, 397 (1997).
208.	G. Maes, J. Smets, L. Adamowicz, W. McCarthy, M.K. Van Bael, L. Houben and K. Schoone, Correlations Between Ab-Initio and Experimental Data for Isolated H-Bonded Complexes of Water with Nitrogen Bases, J. Mol. Struct. 410411, 315 (1997).
209.	J. Smets, L. Houben, K. Schoone, G. Maes and L. Adamowicz, Multiple-Site Proton Affinities of Methylated Nucleic Acid Bases, Chem. Phys. Lett. 262, 789 (1996).
210.	P. Borowicz, O. Faurkov-Nielsen, D.H. Christensen, L. Adamowicz, A. Le and J. Waluk, Vibrational Spectroscopy of Hydroxy-Heterobiaryls. Low Frequency Modes of 2-(2-hydroxyphenyl)-3-pyridynol, J. Mol. Struct. 408/409, 363366 (1997).
211.	Z. Slanina, S.-L. Lee, F. Uhlik, L. Adamowicz, B32 and C: Two Cases of Lost Icosahedral Symmetry, in PHYSICS AND CHEMISTRY OF FULLERENES AND THEIR DERIVATIVES, Eds. H. Kuzmany, J. Fink, M. Mehring and S. Roth, World Sci. Publ., Singapore, 1996, 385-388.
212.	Z. Slanina, S.-L. Lee, F. Uhlik and L. Adamowicz, C60O and C60O2: Thermodynamics vs. Kinetics of Formation, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, Vol. 3, Eds. K.M. Kadish and R.S. Ruoff, The Electrochemical Society, Pennington, 1996, 911-918.
213.	Z. Slanina, S.-L. Lee, F. Uhlik, L. Adamowicz and L.Y. Chiang, Structural Computations of Fullerols C60OH, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, Vol. 3, Eds. K.M. Kadish and R.S. Ruoff, The Electrochemical Society, Pennington, 1996, 987998.
214.	Z. Slanina, L. Adamowicz, J.-P. François and E. sawa, Fullerenes and Other Carbon Aggregates and Diffuse Interstellar Bands, In MOLECULAR COMPLEXES IN THE EARTH, PLANETARY AND COMETARY ATMOSPHERES, Eds. A.A. Vigasin, Z. Slanina, World Sci. Publ., Singapore, 1998, 133176.
215.	A. Sobolewski and L. Adamowicz, An Ab-Initio Study of the Potential Energy Surface in the S1 State of 2-Hydroxypyridine, Chem. Phys. 213, 193 (1996).
216.	M. Van Bael, K. Schoone, L. Houben, J. Smets, W. McCarthy, L. Adamowicz, M. Nowak and G. Maes, Matrix-Isolation FT-IR studies and Theoretical Calculations of Hydrogen-bonded Complexes of Imidazole. Comparison Between Experimental Data and Different Theoretical Methods, J. Phys. Chem. 101, 2397 (1997).
217.	L. Adamowicz and J.-P. Malrieu, Multi-Reference Self-Consistent Size-Extensive Configuration Interaction (CI) -- A Bridge Between the Coupled-Cluster Method and the CI Method, in MODERN IDEAS IN COUPLED-CLUSTER METHODS, Recent Adv. Comput. Chan., R.J. Bartlett, Ed., World Scientific Publishing, 307332 (1997).
218.	D.B. Kinghorn and L. Adamowicz, The Electron Affinity of Hydrogen, Deuterium and Tritium: A Non-Adiabatic Variational Calculation Using Explicitly-Correlated Gaussian Basis Functions, J. Chem. Phys. 106, 4589 (1997).
219.	D. Gilmore, P.M. Kozlowski, D.B. Kinghorn and L. Adamowicz, Analytic First Derivatives for Explicitly-Correlated Multi-Center Gaussian Geminals, Int. J. Quantum Chem. 63, 991 (1997).
220.	J. Smets, W.J. McCarthy, L. Adamowicz, A.M. Plokhotnichenco, E.D. Radchenko, G.G. Sheina and S. Stepanian, Competition Between H-Bonded and Stacked Dimers of Pyrimidine, Mol. Phys. 91, 513 (1997).
221.	P. Borowicz, O. Faurskov-Nielsen, D.H. Christensen, L. Adamowicz, A. Le and J. Waluk, Vibrational Spectroscopy of Hydroxy-Heterobiaryls. I. Low Frequency Modes, Spectrochimica Acta A54, 1291 (1998).
222.	D.B. Kinghorn and L. Adamowicz, A New N-Body Potential and Basis Functions for Vibrational Energy Calculations, J. Chem. Phys. 106, 8760 (1997).
223.	D.B. Kinghorn and L. Adamowicz, Beyond the Born-Oppenheimer Approximation, in Pauling's Legacy, Modern Modelling of Chemical Bond, Eds. Z.B. Maksic and W.J. Orville-Thomas, Elsevier Science, 21-44, (1999).
224.	M. Rostkowska, M.J. Nowak, L., Lapinski, D. Smith and L. Adamowicz, Molecular Structure and Infrared Spectra of 3,4-Dihydroxy-3-Cyclobutene-1,2-Dione: Experimental Matrix Isolation and Theoretical Hartree-Fock and Post Hartree-Fock Study, Spectrochimica Acta Part A 53, 959 (1997).
225.	Z. Slanina, F. Uhlik, L. Adamowicz, S.-L. Lee, Computations of Metal-Covered Fullerenes C60Ben, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS: Vol. 4, Ed. K.M. Kadish, R.S. Ruoff, The Electrochemical Society, Pennington, 712-720 (1997).
226.	Z. Slanina, S.-L. Lee and L. Adamowicz, C80, C86 and C88: Semiempirical and Ab Initio SCF Calculations, Int. J. Quant. Chem. 63, 529-535 (1997).
227.	J. Smets, A. Destexhe, L. Adamowicz and G. Maes, Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes Modeling Cytosine or Isocytosine Tautomers 4. H-bonded Complexes of 1-CH3-2-Pyrimidone and N,N,1-tri-CH3-Cytosine with Water, J. Phys. Chem. 101, 6583 (1997).
228.	W. McCarthy, A.M. Plokhotnichenko, E.D. Radczenko, J. Smets, D.M.A. Smith, S.G. Stepanian and L. Adamowicz, H-Bonding and Stacked Dimers of Pyrimidine and PQuinone. A Combined Matrix Isolation Infrared and Theoretical Ab-Initio Study, J. Phys. Chem. 101, 7208 (1997).
229.	D.M.A. Smith, J. Smets, Y. Elkadi and L. Adamowicz, Methylation Reduces Electron Affinity of Uracil. Ab-Initio Theoretical Study, J. Phys. Chem. 101, 8123 (1997).
230.	J. Smets, D.M.A. Smith, Y. Elkadi and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Water Molecule Inhibits or Enhances Electron Affinity of N-Methyl-Aminoadenine, Pol. J. Chem. 72, 1615 (1998).
231.	J. Smets, D.M.A. Smith, Y. Elkadi and L. Adamowicz, The Search for Stable Anions of Uracil Water Clusters. Ab-Initio Theoretical Studies, J. Phys. Chem. 101, 9152 (1997).
232.	D.M.A. Smith, J. Smets, Y. Elkadi and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Water Trimer Anion, J. Chem. Phys. 107, 5788 (1997).
233.	R. Ramaekers, D.M.A. Smith, Y. Elkadi and L. Adamowicz, Dipole-Bound Anion of Hydrogen Fluoride Dimer. Theoretical Ab-Initio Study, Chem. Phys. Lett. 277, 269 (1997).
234.	R. Ramaekers, D.M.A. Smith, J. Smets and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. (HF) and (HF) Anions, J. Chem. Phys. 107, 9475 (1997).
235.	Z. Slanina, F. Uhlik and L. Adamowicz, An Analytical Solution of Isotopomeric Enumerations for C2v, Cyclic Odd-Numbered Carbon Clusters Cn , J. Radio Analytic. Nucl. Chem. 219, 69 (1997).
236.	A. Jarmula, R. Anulewicz, A. Le, M.K. Cyranski, L. Adamowicz, M. Bretner, K. Falczak, T. Kulikowski, T. Krygowski and W. Rode, Crystal Structures of 5-Fluoro-dVrd and its 2- and 4-Thio Analogues: Models of Substituted dUMP Pyrimidine Ring Interacting with Thymidylate Synthase,
237.	L. Adamowicz, P. Piecuch and K. Ghose, The State-Selective Multi-Reference Coupled Cluster Method, Mol. Phys. 94, 225 (1998).
238.	S.G. Stepanian, I.D. Reva, E.D. Radczenko, M.T.S. Rosado, M.L.T.S. Duerte, R. Fausto and L. Adamowicz, Matrix-Isolation Infrared and Theoretical Studies of the Glycine Conformers, J. Phys. Chem. A102, 1041 (1998).
239.	A. Le, L. Adamowicz and W. Rode, Modeling of Reaction Steps Relevant to Deoxy uridylate (dUMP) Enzymatic Methylation and Thydidylate Synthase MechanismBased Inhibition, J. Biomol. Struct. Dynamics 15, 703 (1998).
240.	W.J. McCarthy, L. Lapinski, M.J. Nowak and L. Adamowicz, Out-of-Plane Vibrations of NH2 in 2-Aminopyrimidine, J. Chem. Phys. 108, 10116 (1998).
241.	W.J. McCarthy, D.M.A. Smith, L. Adamowicz, H. Saint-Martin, and I. Ortega-Blake, The Isomerization Reactions of Neutral and Ionic Ca-PPi Complexes in the Gas Phase, J. Am. Chem. Soc. 120, 6113 (1998).
242.	D.M.A. Smith, J. Smets, Y. Elkadi and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes [H2OHCN]¯ and [HCNH2O]¯ Anions, Chem. Phys. Lett. 288, 609 (1998).
243.	V. Alexandrov, D.M.A. Smith, H. Rostkowska, M.J. Nowak, L. Adamowicz and W. McCarthy, Theoretical Study of the O-H Stretching Band in 3-Hydroxy-2Methyl-4-Pyrone, J. Chem. Phys. 108, 9685 (1998).
244.	H. Rostkowska, M.J. Nowak, L. Kapinski and L. Adamowicz, Molecular Structure and Infrared Spectra of 2-Hydroxy-1,4-Naphthoquinone; Experimental Matrix Isolation and Theoretical Hartree-Fock and Post Hartree-Fock Study, Spectrochimica Acta (A) 54, 1091 (1998).
245.	P.M. Plokhotnichenko, E.D. Radchenko, S.G. Stepanian and L. Adamowicz, Hydrogen-Bonded and Stacked Homo- and Hetero-dimers of Systems Modeling Nucleic Acid Base Pairs, Recent Res. Devel. In Physical Chem., Transworld Research Network Series 2, 1087 (1998).
246.	J. Smets, K. Schoone, R. Ramaekers, L. Adamowicz and G. Maes, Theoretical Density Functional and Ab-Initio Computational Study of the Tautomeric and HBond Properties of 1,7-di-CH3-Guanine: A Comparison with FT-IR Data from Matrix Isolation Experiments, J. Mol. Structure 442, 201 (1998).
247.	V. Alexandrov, S. Stepanian and L. Adamowicz, Theoretical Ab-Initio Study of O-H Vibrational Band in Gas-Phase Glycine Conformers, Chem. Phys. Lett. 291, 110 (1998).
248.	S.G. Stepanian, I.D. Reva, E.D. Radchenko and L. Adamowicz, Conformation Behavior of -Alanine. Matrix-Isolation Infrared and Theoretical DFT and Ab-Initio Study, J. Phys. Chem. A102, 4623 (1998).
249.	D.M.A. Smith, J. Smets, Y. Elkadi and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Water Tetramer Anions, J. Chem. Phys. 109, 1238 (1998).
250.	K. Schoone, J. Smets, L. Houben, M.K. VanBael, L. Adamowicz and G. Maes, Matrix-Isolation FT-IR Studies and Theoretical Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Adenine Tautomers. I. H-Bonding of Benzimidazoles with H2O in Ar Matrices, J. Phys. Chem. 102, 4863 (1998).
251.	J. Smets, W. McCarthy, G. Maes and L. Adamowicz, Correlation Between Ab-Initio and Experimentally Determined Properties of 1:1 Hydrogen-Bonded Complexes of Pyridine Derivatives with Water, J. Mol. Struct. 476, 27 (1999).
252.	J. Smets, A. Destexhe, L. Adamowicz, and G. Maes, Matrix-Isolation FT-IR Studies and Ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine and Isocytosine Tautomers. 6. Experimental Observation of a Water-induced Tautomeric Shift for 2-Hydroxypyrimidine and 5-Br-2-Hydroxypyrimidine in Ar Matrices, J. Phys. Chem. 102, 8157 (1998).
253.	C. Desfrançois, V. Périquet, S. Carles, K.H. Bowen, J.P. Schermann and L. Adamowicz, Neutral and Negatively-Charged Formamide, N-Methylformamide and N,N-Dimethyl-formamide Clusters, Chem. Phys. 239, 475 (1998).
254.	C. Desfrançois, V. Périquet, Y. Bouteiller, L. Adamowicz, B.H. Bowen and J.P. Schermann, Experimental Evidence for Electron Binding to Quadrupolar Molecules and Clusters, J. Phys. B., accepted for publication.
255.	J. Smets, D.M.A. Smith and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Anions of H-Bonded Hydrogen Cyanide Polymers, Chem. Phys. Lett. 297, 451 (1998).
256.	Z. Slanina, X. Zhao, E. sawa and L. Adamowicz, Cyclic and Linear Structures of C13: A Computational Study, Fullerene Sci. Technol (in press).
257.	C. Miyajima, Z. Slanina, L. Adamowicz and E. sawa, Computations of MetalCoated Fullerenes C60Mn: M = Be, Mg, Al, in RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS: Vol. 8, Eds. K.M. Kadish, R.S. Ruoff, Proceedings of The Electrochemical Society, Pennington, 120 131 (1998).
258.	Z. Slanina, F. Uhlík, L. Adamowicz and E. sawa, Computations of Metal-Covered Fullerenes C60Ben, in MOLECULAR NANOSTRUCTURES, Eds. H. Kuzmany, J. Fink, M. Mehring, S. Roth, World Sci. Publ., Singapore, 1922 (1998).
259.	A. Dkhissi, L. Houben, J. Smets, L. Adamowicz and G. Maes, Density Functional Theory and Ab-Initio Computational Study of 2-Hydroxypyridine/2-Pyridone Systems: A Comparison with FT-IR Data from Matrix-Isolation Experiments, J. Mol. Struct., accepted for publication.
260.	I. Galetich, M. Kosevich, V. Shelkovsky, S.G. Stepanian, Yu. B. Blogoi and L. Adamowicz, Structure and Energy of Nucleic Acid Base-Amino Acid Complexes. 1. 1-Methyl-Uracil-Akrylamide, J. Mol. Struct. 478, 155 (1999).
261.	D.M.A. Smith, J. Smets and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Water Pentamer Anion, J. Chem. Phys. 110, 3804 (1999).
262.	V. Alexandrov, I. Filippov, L. Adamowicz and W.R. Salzman, Passing Dynamic Objects by Reference in FORTRAN 90: Application to Time-Dependent Quantum Chemistry, Computers & Chemistry 23, 25 (1999).
263.	C. Desfrançois, V. Périquet, S. Carles, J.P. Schermann, D.M.A. Smith and L. Adamowicz, Experimental and Ab-Initio Theoretical Studies of Electron Binding to Formamide, N-Methylformamide and N,N-Dimethylformamide, J. Chem. Phys., 110, 4309 (1999).
264.	D.B. Kinghorn and L. Adamowicz, A Correlated Basis Set for Non-Adiabatic Energy Calculations on Diatomic Molecules, J. Chem. Phys. 110, 7166 (1999).
265.	D.M.A. Smith, J. Smets, Y. Elkadi and L. Adamowicz, Ab-Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Formaldehyde Dimer Anion, Chem. Phys. Lett., 305, 169 (1999).
266.	S.G. Stepanian, I.D. Reva, E.D. Radchenko and L. Adamowicz, Combined Matrix-Isolation Infrared and Theoretical DFT and Ab-Initio Study of the Non-Ionized Valine Conformers, J. Phys. Chem., accepted for publication.
267.	D.M.A. Smith, J. Smets, and L. Adamowicz, Isomerism of the Covalent Anion of the Uracil-Thymine Dimer. Theoretical Ab-initio Study, J. Phys. Chem., accepted for publication.
268.	R. Ramaekers, D.M.A. Smith, J. Smets, and L. Adamowicz, Ab-initio Theroetical Study of Dipole-Bound Anions of Molecular Complexes, (HF)-n, n = 5-9, Anions, J. Mol. Struct., accepted for publication.
269.	M. Fores and L. Adamowicz, A CASSCF CASPT2 Study of the Excited-State Intermolecular Proton Transfer Reaction in 1-Amino-3-Propenal Using Different Active Spaces, J. Comp. Chem., accepted for publication.
270.	M. Forés, M. Duran, M. Solá and L. Adamowicz, Excited State Intramolecular Proton Transfer and Rotamerism of 2-(2'-hydroxyvinyl)benzimidazole and 2-(2'-hydroxyphenyl)imidazole, J. Phys. Chem., accepted for publication.
271.	D.M.A. Smith, J. Smets and L. Adamowicz, Anions of Uracil Dimer, Ab-initio Theoretical Study, J. Phys. Chem., accepted for publication.
272.	C. Desfrancois, H. Abdoul-Carime, S. Carles, V. Periquet, J.P. Schermann, D.M.A. Smith, and L. Adamowicz, Theoretical Experimental and Ab initio Study of the Influence of N-Methylation on the Dipole-Bound Electron Affinities of Thymine and Uracil, J. Phys. Chem., accepted for publication.
273.	A Dkhissi, L. Houben, R. Ramaekers, L. Adamowicz, and G. Maes, Theoretical Density Functional and Ab Initio Computational Study of Different Types of Hydrogen Bonding, THEOCHEM, accepted for publication.

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