List of Publications

• Theoretical Probation of FClCO···Cl2 Molecular Complex. Post Hartree—Fock Studies on Molecular Structures, Stabilities and Vibrational Harmonic Frequencies. A. Nowek, S. Reddy, and J. Leszczynski. Chem. Phys. Lett., (1994), 231, 359.  https://doi.org/10.1016/0009-2614(94)01279-2

• Hartree—Fock and Post-Hartree—Fock Study on Molecular Structures and IR Spectra of HGaX and HXGa (X = O, S and Se) Systems. A. Nowek and J. Leszczynski. J. Phys. Chem., (1994), 98, 13210. https://doi.org/10.1021/j100101a021

• Structures and Properties of GeH5+ Ions As Revealed by Post-Hartree—Fock Calculations.  E.F.Archibong and J.Leszczynski. J. Phys. Chem., (1994), 98, 10084. https://doi.org/10.1021/j100091a023

• Ab Initio Post-Hartree—Fock Calculations of the 2-Hydroxypyridine/2(1H)-Pyridinone System: Molecular Structures, Vibrational IR Spectra and Tautomeric Stability. J. S. Kwiatkowski, J.Leszczynski. J. Mol. Struct. (THEOCHEM), (1994), 312, 201. https://doi.org/10.1016/S0166-1280(09)80034-1

• Molecular Structures and Properties of HGeX+ and HXGe+ (X=O, S, Se) Species. J.Leszczynski, J.S.Kwiatkowski, D. Leszczynska, and B. Hale.  Chem. Phys. Lett., (1994), 226, 413. https://doi.org/10.1016/0009-2614(94)00746-2

• Guanine, 6-Thioguanine and 6-Selenoguanine: Ab initio HF/DZP and MP2/DZP Comparative Studies. J.Leszczynski. J. Mol. Struct.(THEOCHEM), (1994), 311, 37. https://doi.org/10.1016/S0022-2860(10)80012-2

• Experimental Matrix Isolation and Theoretical Ab Initio HF/6 31G(d,p) Studies of Infrared Spectra of Purine, Adenine and 2-Chloroadenine. M. J. Nowak, H. Rostkowska, L. Lapinski, J. S. Kwiatkowski and J. Leszczynski. Spectrochim. Acta, (1994), 50A, 1081. https://doi.org/10.1016/0584-8539(94)80030-8

• Tautomerism N(9)H N(7)H of Purine, Adenine and 2 Chloroadenine: Combined Experimental IR Matrix Isolation and Ab Initio Quantum Mechanical Studies. M. J. Nowak, H.Rostkowska, L. Lapinski, J.S.Kwiatkowski, and J. Leszczynski. J. Phys. Chem., (1994), 98, 2813. https://doi.org/10.1021/j100062a015

• Molecular-Structure and Vibrational IR-Spectrum of Formamide Revisited - Ab-Initio Post-Hartree-Fock Study (Vol 297, Pg 277, 1993). Kwiatkowski, J. S., Leszczynski. J. J. Mol. Str., (1994), 317(3), 305. https://doi.org/10.1016/0022-2860(93)80183-V

• Sign of V6 Term in Internal Rotation Potential of Acetaldehyde. Theory and Experiment in Harmony. L.Goodman, J. Leszczynski, and T. Kundu. J. Chem. Phys., (1994), 100, 1274. https://doi.org/10.1063/1.466656

• Diborane, Dialane, and Digallane: Accurate Geometries and Vibrational Frequencies., D.H. Magers, R. B. Hood, and J. Leszczynski.  Int. J. Quant. Chem., (1994), 28, 579. https://doi.org/10.1002/qua.560520852

• Molecular Structure and Vibrational Infrared Spectra of Formaldehyde, Selenoformaldehyde and their Dihalogenoderivatives by Ab Initio Post-Hartree—Fock Calculations. J.S.Kwiatkowski and J.Leszczynski. Mol. Phys., (1994), 81, 119. https://doi.org/10.1080/00268979400100081

• Methyl Torsion in Propene Initiates Ethylenic Hydrogen Wagging and Twisting. L. Goodman, J. Leszczynski and T. Kundu. J. Am. Chem. Soc., (1993), 115, 11991. https://doi.org/10.1021/ja00078a041

• Molecular Structures and Vibrational IR Spectra of GeX and XGeY Species (X,Y = O, S, Se) by Ab Initio Hartree—Fock and Post-Hartree—Fock Study. J. Leszczynski, J. S. Kwiatkowski. J. Phys. Chem., (1993), 97, 12189. https://doi.org/10.1021/j100149a015

• Theoretical Evaluation of Nonclassical Nucleic Acid Bases. 3. Structures and Properties of Wye Tautomers. J.Leszczynski. J. Phys. Chem., (1993), 97, 12193. https://doi.org/10.1021/j100149a016

• Importance of Polarization and Correlation Effects in Ab Initio Prediction of the Acetaldehyde Methyl Torsional Barrier. J. Leszczynski and L. Goodman. J. Chem. Phys., (1993), 99, 4867. https://doi.org/10.1063/1.466035

• Molecular Structure and Vibrational IR Spectrum of Formamide Revisited: Ab Initio Post- Hartree—Fock Study. J. S. Kwiatkowski, J. Leszczynski.  J. Mol. Struct., (1993), 297, 277. https://doi.org/10.1016/0022-2860(93)80183-V

• Is the structure of selenoformamide similar to those of formamide and thioformamide? [Erratum to document cited in CA118(1):7088y]. Jerzy Leszczynski, Jozef S. Kwiatkowski, Danuta Leszczynska. J. Am. Chem. Soc., (1993), 115(13), 5891–5891. https://doi.org/10.1021/ja00066a094

• Vibrational Infrared Spectra of Biuret and its Thioanalogs: An Ab Initio SCF/3 21G* Study. R.H. Sullivan, J.S.Kwiatkowski, J. Leszczynski, A. Jabalameli. J. Mol. Struct., (1993), 295, 169. https://doi.org/10.1016/0022-2860(93)85018-P

• Tautomers of 6-Thioguanine: Structures and Properties. J. Leszczynski. J. Phys. Chem., (1993), 97, 3520. https://doi.org/10.1021/j100116a014

• Temperature Dependent Thermodynamic Contributions to the Relative Tautomeric Stabilities of Nucleic Acid Bases. J. S. Kwiatkowski, J. Leszczynski. Chem. Phys. Lett., (1993), 204, 430. https://doi.org/10.1016/0009-2614(93)89181-G

• Ab Initio Hartree—Fock and Post-Hartree—Fock Studies of Molecular Structures and Vibrational Spectra of Thioformaldehyde and Its Fluoro, Chloro, and Bromoderivatives. J. S. Kwiatkowski, J. Leszczynski. J. Phys. Chem., (1993), 97, 1845. https://doi.org/10.1021/j100111a021

• Molecular Structures and Properties of Phosphine Selenide and Selenophosphinous Acid Revealed by ab Initio Post-Hartree—Fock Studies. J. Leszczynski, J. S. Kwiatkowski. J. Phys. Chem., (1993), 97, 1364. https://doi.org/10.1021/j100109a019

• Harmonized Infrared Spectrum of Formaldehyde: Experiment and Theory”, J. S. Kwiatkowski, J. Leszczynski. J. Mol. Spectrosc., (1993), 157, 540. https://doi.org/10.1006/jmsp.1993.1044

• Molecular Structures and Vibrational Spectra of Selenoketene and Its Thio- and Oxo-Analogs by Second-Order Mller—Plesset Theory. J. Leszczynski, J. S. Kwiatkowski. Chem. Phys. Lett., (1993), 201, 79. https://doi.org/10.1016/0009-2614(93)85037-O

• Is the Structure of Selenoformamide Similar to Those of Formamide and Thioformamide? J.Leszczynski, J.S.Kwiatkowski, D. Leszczynska. J. Am. Chem. Soc., (1992), 114, 10089. https://doi.org/10.1021/ja00051a068

• Biuret and Its Sulfur Analogs: Structures and Energies. J. Leszczynski, R. H. Sullivan. Int. J. Quant. Chem., (1992), 44, 301. https://doi.org/10.1002/qua.560440216

• The Quantitative Prediction and Interpretation of Vibrational Spectra of Organophosphorus Compounds. 4. Ab Initio Post-Hartree—Fock Study on Molecular Structures and Vibrational Spectra of Phosphine Oxide, Phosphinous Acid, and Their Thio Analogs. J. S. Kwiatkowski, J.Leszczynski. J. Phys. Chem., (1992), 96, 6636. https://doi.org/10.1021/j100195a023

• Ab Initio Post-Hartree—Fock Studies on Molecular Structure and Vibrational IR Spectra of Formaldehyde. J.S.Kwiatkowski, J. Leszczynski. Int. J. Quant. Chem.: Quantum Chemistry Symposium, (1992), 26, 421. https://doi.org/10.1002/qua.560440837 

• Molecular Structures and Vibrational Spectra of Selenoformaldehyde and its Thio and Oxo Analogs by Ab Initio Post-Hartree-Fock Study. J. Leszczynski, J. S. Kwiatkowski, D.Leszczynska. Chem. Phys. Lett., (1992), 194, 157. https://doi.org/10.1016/0009-2614(92)85526-G

• The Quantitative Prediction and Interpretation of Vibrational Spectra of Organophosphorus Compounds. Part 5. Methoxydifluorophosphine CH3OPF2. J. S. Kwiatkowski, J. Leszczynski. J. Mol. Struct. (Theochem), (1992), 258, 287. https://doi.org/10.1016/0166-1280(92)85071-r

• Ab Initio Post-Hartree—Fock Study on Tautomeric Stabilities of Phosphine Oxide, Phosphinous Acid and Their Thio Analogues”, J. S. Kwiatkowski, J. Leszczynski, Mol. Phys., (1992), 76, 475. https://doi.org/10.1080/00268979200101471

• Molecular Structures of M2O (M = B, Al, Ga) Suboxides. Bent or Linear? J. Leszczynski, J.S.Kwiatkowski. J. Phys. Chem., (1992), 96, 4148. https://doi.org/10.1021/j100190a008

• The Quantitative Prediction and Interpretation of Vibrational Spectra of Organophosphorus Compounds. Part 3. Comparative Ab Initio SCF Studies of Phosphine Oxide, Phosphine Sulfide and Their Fluoroderivatives. J.S.Kwiatkowski, J. Leszczynski. J. Mol. Struct. (THEOCHEM), (1992), 257, 85. https://doi.org/10.1016/0166-1280(92)87182-y

• Identification of the Imino Oxo Form of 1 Methylcytosine. M. Szczesniak, J. Leszczynski, W.B. Person. J. Am. Chem. Soc., (1992), 114, 2731. https://doi.org/10.1021/ja00033a065

• Tautomerism of Uracil: The Final Chapter? Fourth—Order Electron Correlation Contributions to the Relative Energies of Tautomers. J. Leszczynski. J. Phys. Chem., (1992), 96, 1649. https://doi.org/10.1021/j100183a029

• Are the Amino Groups in the Nucleic Acid Bases Coplanar with the Molecular Rings? Ab Initio HF/6 31G* and MP2/6 31G* Studies. J. Leszczynski. Int. J. Quant. Chem.: Quant. Biology Symposium, (1992), 19, 43. https://doi.org/10.1002/qua.560440708

• Ab Initio Hartree—Fock and Post-Hartree—Fock Studies on Molecular Structures and Vibrational Spectra of Formamide and Formamidic Acid. J. S. Kwiatkowski, J. Leszczynski. J. Mol. Struct., (1992), 270, 67. https://doi.org/10.1016/0022-2860(92)85020-H

• Infrared Spectra of Tautomers and Rotamers of 9-Methylguanine. An Experimental and Theoretical Study. K.Szczepaniak, M. Szczesniak, W. Szajda, W.B.Person, J. Leszczynski. Can. J. Chem., (1991), 69, 1705. https://doi.org/ 10.1139/v91-251

• Theoretical Evaluation of New Nucleic Acid Bases. II. Ab Initio Study on Tautomerism of Pyrazolo[4,3-d]Pyrimidine-5,7(4H,6H)-dione. J. Leszczynski.  Chem. Phys. Lett., (1991), 181, 123. https://doi.org/10.1016/0009-2614(91)90343-8

• Hydrides of Alo  and Borogallane(4), AlGaH4 and BGaH4. J. Leszczynski and K.Lammertsma.  J. Phys. Chem., (1991), 95, 3941. https://doi.org/10.1021/j100163a010

• 2,4 Dithiouracil Tautomers: Structures and Energies. J. Leszczynski and K. Lammertsma. J. Phys. Chem., (1991), 95, 3128. https://doi.org/10.1021/j100161a032

• Structure and Properties of Uracil and Its Sulfur Analogs: A Systematic Study of Basis Set Effects in Ab Initio SCF Calculations. J. Leszczynski. Int. J. Quant. Chem.: Quantum Biology Symposium, (1991), 18, 9. https://doi.org/10.1002/qua.560400707

• Theoretical and Experimental Study on Small Molecular Ions. I. Ab Initio Calculations on CSe, CSe+, and HCSe+ Species. J. Leszczynski, B. Hale, D.Leszczynska. Int. J. Quant. Chem.: Quantum Chemistry Symposium, (1991), 25, 451. https://doi.org/10.1002/qua.560400842

• Infrared Matrix Isolation and Ab Initio Quantum Mechanical Studies of Purine and Adenine. M. J. Nowak, L.Lapinski, J. S. Kwiatkowski, J. Leszczynski. Spectrochim. Acta, (1991), 47A, 87. https://doi.org/10.1016/0584-8539(91)80182-I

• Infrared Experimental and Ab Initio Quantum Mechanical Studies of 2 Mercaptopyrimidine Tautomers. H. Rostkowska, M. J. Nowak, L. Lapinski, J. Leszczynski, J. S. Kwiatkowski, Spectrochim. Acta, (1991), 47A, 339. https://doi.org/10.1016/0584-8539(91)80112-V

• Electron Correlation Effects in the Ab Initio Study on Tautomerism of Guanine. J. Leszczynski. Chem. Phys. Lett., (1990), 174, 347. https://doi.org/10.1016/0009-2614(90)85357-I

• Theoretical Evaluation of New Nucleic Acid Bases. Ab Initio Study of Tautomerism of 2,6-diaminopyrimidine (k-base)”, J. Leszczynski, Chem. Phys. Lett., (1990), 173, 371. https://doi.org/10.1016/0009-2614(90)85286-L

• An Ab Initio Quantum-Mechanical Study of Tautomerism of Purine, Adenine and Guanine. J. S. Kwiatkowski, J. Leszczynski. J. Mol. Struct. (Theochem), (1990), 208, 35. https://doi.org/10.1016/0166-1280(92)80005-7

• Ab Initio Study on Digallane (4), Ga2H4. K. Lammertsma, J. Leszczynski. J. Phys. Chem., (1990), 94, 5543. https://doi.org/ 10.1021/j100377a025

• Ab Initio Study on Dialane (6) and Digallane (6). K. Lammertsma, J. Leszczynski. J. Phys. Chem., (1990), 94, 2806. https://doi.org/ 10.1021/j100370a016

• Tautomerism and Infrared Spectra of Thiouracils. Matrix Isolation and ab Initio Studies. H. Rostkowska, K. Szczepaniak, M. J. Nowak, J. Leszczynski, K. KuBulat, W. B. Person. J. Am. Chem. Soc., (1990), 112, 2147. https://doi.org/ 10.1021/ja00162a016