ABINITIO STUDY OF THE PROTON AFFINITY OF A NUMBER OF ORTHO-SUBSTITUTED PYRIDINES

被引：31

作者：

MARTIN, JML ^{[1
]}

FRANCOIS, JP ^{[1
]}

GIJBELS, R ^{[1
]}

机构：

[1] LIMBURGS UNIV CENTRUM, DEPT SBM, B-3610 DIEPENBEEK, BELGIUM

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1989年 / 10卷 / 03期

关键词：

D O I：

10.1002/jcc.540100308

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：346 / 357

页数：12

共 76 条

[1]

Almlof J., 1973, Journal of Electron Spectroscopy and Related Phenomena, V2, P51, DOI 10.1016/0368-2048(73)80048-9

[2] SOLVATION AND HYDROGEN-BONDING OF PYRIDINIUM IONS [J].

ARNETT, EM ;

CHAWLA, B ;

BELL, L ;

TAAGEPERA, M ;

HEHRE, WJ ;

TAFT, RW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5729-5738

[3]

Aue D. H., 1979, GAS PHASE ION CHEM, V2

[4] ION CYCLOTRON RESONANCE SPECTROSCOPY [J].

BEAUCHAM.JL .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :527-&

[5] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[6]

Binkley J. S, 1982, GAUSSIAN 82

[7] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].

BINKLEY, JS ;

POPLE, JA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236

[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .19. SPLIT-VALENCE GAUSSIAN-TYPE BASIS SETS FOR BERYLLIUM [J].

BINKLEY, JS ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) :879-880

[9]

BINKLEY JS, QCPE368

[10] THE EFFECT OF INCLUDING POLARIZATION FUNCTIONS ON THE GEOMETRICAL PARAMETERS CALCULATED FOR PYRIDINE [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (02) :153-157

← 1 2 3 4 5 6 7 8 →