VIBRATIONAL FREQUENCY-SHIFT INDUCED BY PROTONATION ON PYRIDINE STUDIED BY ABINITIO MOLECULAR-ORBITAL CALCULATION

[1] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE [J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391

[2] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS [J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1359 - 1376

[3] UNRESTRICTED HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND VIBRATIONAL FREQUENCIES OF HCO RADICAL [J]. CHEMICAL PHYSICS LETTERS, 1974, 29 (01) : 98 - 101

[4] SURFACE-ENHANCED RAMAN-SCATTERING AND NONLINEAR OPTICS APPLIED TO ELECTROCHEMISTRY [J]. CRC CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 1984, 12 (01): : 1 - 73

[5] Fogarasi G., 1985, Vibrational spectra and structure. A Series of Advances. Vol.14, P125

[6] ABINITIO HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND GEOMETRY OF HNF2 AND H2NF [J]. MOLECULAR PHYSICS, 1977, 33 (06) : 1565 - 1570

[7] ELECTRONIC STATES OF AZABENZENES - A CRITICAL REVIEW [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 22 (02) : 125 - &

[8] SURFACE-ENHANCED SPECTROSCOPY [J]. REVIEWS OF MODERN PHYSICS, 1985, 57 (03) : 783 - 826

[9] COMBINATION OF THEORETICAL ABINITIO AND EXPERIMENTAL INFORMATION TO OBTAIN RELIABLE HARMONIC FORCE-CONSTANTS - SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELDS FOR GLYOXAL, ACROLEIN, BUTADIENE, FORMALDEHYDE, AND ETHYLENE [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (24) : 7037 - 7047

[10] THE MOLECULAR-STRUCTURE OF PYRIDINE IN THE GAS-PHASE DETERMINED FROM ELECTRON-DIFFRACTION, MICROWAVE AND INFRARED DATA AND ABINITIO FORCE-FIELD CALCULATIONS [J]. JOURNAL OF MOLECULAR STRUCTURE, 1987, 156 (3-4) : 315 - 329

[1] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE [J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391

[2] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS [J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1359 - 1376

[3] UNRESTRICTED HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND VIBRATIONAL FREQUENCIES OF HCO RADICAL [J]. CHEMICAL PHYSICS LETTERS, 1974, 29 (01) : 98 - 101

[4] SURFACE-ENHANCED RAMAN-SCATTERING AND NONLINEAR OPTICS APPLIED TO ELECTROCHEMISTRY [J]. CRC CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 1984, 12 (01): : 1 - 73

[5] Fogarasi G., 1985, Vibrational spectra and structure. A Series of Advances. Vol.14, P125

[6] ABINITIO HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND GEOMETRY OF HNF2 AND H2NF [J]. MOLECULAR PHYSICS, 1977, 33 (06) : 1565 - 1570

[7] ELECTRONIC STATES OF AZABENZENES - A CRITICAL REVIEW [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 22 (02) : 125 - &

[8] SURFACE-ENHANCED SPECTROSCOPY [J]. REVIEWS OF MODERN PHYSICS, 1985, 57 (03) : 783 - 826

[9] COMBINATION OF THEORETICAL ABINITIO AND EXPERIMENTAL INFORMATION TO OBTAIN RELIABLE HARMONIC FORCE-CONSTANTS - SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELDS FOR GLYOXAL, ACROLEIN, BUTADIENE, FORMALDEHYDE, AND ETHYLENE [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (24) : 7037 - 7047

[10] THE MOLECULAR-STRUCTURE OF PYRIDINE IN THE GAS-PHASE DETERMINED FROM ELECTRON-DIFFRACTION, MICROWAVE AND INFRARED DATA AND ABINITIO FORCE-FIELD CALCULATIONS [J]. JOURNAL OF MOLECULAR STRUCTURE, 1987, 156 (3-4) : 315 - 329