THEORETICAL CHEMISTRY

[1] SOLVATION AND HYDROGEN-BONDING OF PYRIDINIUM IONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) : 5729 - 5738

[2] BANDURA AV, 1977, THEOR EXP CHEM, V12, P463

[3] ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .3. RELIABILITY AND TRANSFERABILITY OF PAIR POTENTIALS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) : 5550 - 5557

[4] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5270 - &

[5] REPRESENTATION OF POLARIZATION TERM IN INTERACTION ENERGY BETWEEN A MOLECULE AND A POINT-LIKE CHARGE [J]. THEORETICA CHIMICA ACTA, 1976, 43 (01): : 63 - 73

[6] APPROXIMATE EXPRESSION OF ELECTROSTATIC MOLECULAR POTENTIAL IN TERMS OF COMPLETELY TRANSFERABLE GROUP CONTRIBUTIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (14) : 4546 - 4554

[7] SYMMETRY AND TUNNELING IN PROTON-TRANSFER REACTIONS - PROTON-EXCHANGE BETWEEN METHYLOXONIUM ION AND METHYL-ALCOHOL, METHYL-ALCOHOL AND METHOXIDE ION, HYDRONIUM ION AND WATER, AND WATER AND HYDROXYL ION [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (08) : 2397 - 2406

[8] THEORETICAL INVESTIGATION OF ELECTRONIC REORGANIZATIONS ACCOMPANYING CORE AND VALENCE IONIZATION IN SIMPLE HYDROGEN-BONDED SYSTEMS [J]. THEORETICA CHIMICA ACTA, 1977, 44 (02): : 181 - 199

[9] CLEMENTI E, 1976, B SOC CHIM BELG, V85, P969

[10] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .14. COORDINATION NUMBERS FOR SELECTED ION-PAIRS IN WATER [J]. THEORETICA CHIMICA ACTA, 1976, 43 (02): : 101 - 120

[1] SOLVATION AND HYDROGEN-BONDING OF PYRIDINIUM IONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) : 5729 - 5738

[2] BANDURA AV, 1977, THEOR EXP CHEM, V12, P463

[3] ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .3. RELIABILITY AND TRANSFERABILITY OF PAIR POTENTIALS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) : 5550 - 5557

[4] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5270 - &

[5] REPRESENTATION OF POLARIZATION TERM IN INTERACTION ENERGY BETWEEN A MOLECULE AND A POINT-LIKE CHARGE [J]. THEORETICA CHIMICA ACTA, 1976, 43 (01): : 63 - 73

[6] APPROXIMATE EXPRESSION OF ELECTROSTATIC MOLECULAR POTENTIAL IN TERMS OF COMPLETELY TRANSFERABLE GROUP CONTRIBUTIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (14) : 4546 - 4554

[7] SYMMETRY AND TUNNELING IN PROTON-TRANSFER REACTIONS - PROTON-EXCHANGE BETWEEN METHYLOXONIUM ION AND METHYL-ALCOHOL, METHYL-ALCOHOL AND METHOXIDE ION, HYDRONIUM ION AND WATER, AND WATER AND HYDROXYL ION [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (08) : 2397 - 2406

[8] THEORETICAL INVESTIGATION OF ELECTRONIC REORGANIZATIONS ACCOMPANYING CORE AND VALENCE IONIZATION IN SIMPLE HYDROGEN-BONDED SYSTEMS [J]. THEORETICA CHIMICA ACTA, 1977, 44 (02): : 181 - 199

[9] CLEMENTI E, 1976, B SOC CHIM BELG, V85, P969

[10] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .14. COORDINATION NUMBERS FOR SELECTED ION-PAIRS IN WATER [J]. THEORETICA CHIMICA ACTA, 1976, 43 (02): : 101 - 120