PROTONATION ENERGIES AND TAUTOMERISM OF AZOLES - BASIS SET EFFECTS

[1] BINKLEY JS, PROGRAM GAUSSIAN 80

[2] MICROWAVE SPECTRUM AND DIPOLE MOMENT OF 1,2,4-TRIAZOLE - IDENTIFICATION OF TAUTOMER IN VAPOUR PHASE [J]. JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (15): : 873 - &

[3] N1S CORE BINDING-ENERGIES FOR 2-SUBSTITUTED, 3-SUBSTITUTED, AND 4-SUBSTITUTED PYRIDINES DETERMINED BY X-RAY PHOTOELECTRON-SPECTROSCOPY - CORRELATIONS WITH THEORETICAL-MODELS, SUBSTITUENT PARAMETERS, AND GAS-PHASE BASICITIES [J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1980, 58 (07): : 694 - 703

[4] PREDICTION OF PROTON AFFINITIES AND PREFERRED PROTONATION SITES IN BENZENE-DERIVATIVES, FROM 1S ORBITAL ENERGIES [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1979, (12): : 1627 - 1631

[5] PROTON AFFINITIES AND PREFERRED PROTONATION SITES IN 3-SUBSTITUTED AND 4-SUBSTITUTED PYRIDINES - PREDICTION FROM 1S ORBITAL ENERGIES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (22) : 6520 - 6524

[6] CATALAN J, 1984, CHEM SCRIPTA, V24, P84

[7] DAVIS D, 1974, J AM CHEM SOC, V96, P5303

[8] GEOMETRY, BASIS SET, AND CORRELATION-ENERGY DEPENDENCE OF COMPUTED PROTONATION ENERGIES OF IMINO BASES [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (04) : 381 - 386

[9] MOLECULAR-ORBITAL STUDY OF PROTONATION .2. PYRIDINE AND DIAZINES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (11) : 3617 - 3619

[10] MOLECULAR-ORBITAL STUDY OF PROTONATION .3. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS RCHOH+ [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (06) : 1673 - 1679

[1] BINKLEY JS, PROGRAM GAUSSIAN 80

[2] MICROWAVE SPECTRUM AND DIPOLE MOMENT OF 1,2,4-TRIAZOLE - IDENTIFICATION OF TAUTOMER IN VAPOUR PHASE [J]. JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (15): : 873 - &

[3] N1S CORE BINDING-ENERGIES FOR 2-SUBSTITUTED, 3-SUBSTITUTED, AND 4-SUBSTITUTED PYRIDINES DETERMINED BY X-RAY PHOTOELECTRON-SPECTROSCOPY - CORRELATIONS WITH THEORETICAL-MODELS, SUBSTITUENT PARAMETERS, AND GAS-PHASE BASICITIES [J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1980, 58 (07): : 694 - 703

[4] PREDICTION OF PROTON AFFINITIES AND PREFERRED PROTONATION SITES IN BENZENE-DERIVATIVES, FROM 1S ORBITAL ENERGIES [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1979, (12): : 1627 - 1631

[5] PROTON AFFINITIES AND PREFERRED PROTONATION SITES IN 3-SUBSTITUTED AND 4-SUBSTITUTED PYRIDINES - PREDICTION FROM 1S ORBITAL ENERGIES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (22) : 6520 - 6524

[6] CATALAN J, 1984, CHEM SCRIPTA, V24, P84

[7] DAVIS D, 1974, J AM CHEM SOC, V96, P5303

[8] GEOMETRY, BASIS SET, AND CORRELATION-ENERGY DEPENDENCE OF COMPUTED PROTONATION ENERGIES OF IMINO BASES [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (04) : 381 - 386

[9] MOLECULAR-ORBITAL STUDY OF PROTONATION .2. PYRIDINE AND DIAZINES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (11) : 3617 - 3619

[10] MOLECULAR-ORBITAL STUDY OF PROTONATION .3. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS RCHOH+ [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (06) : 1673 - 1679