ABINITIO MO CALCULATIONS ON THE STABLE CONFORMATIONS AND THEIR BINDING-ENERGIES OF THE ION-MOLECULE COMPLEXES - ION = H+, LI+, NA+, K+, BE-2+, MG-2+, AND CA-2+ - MOLECULE = CO AND N2

被引:48
作者
IKUTA, S
机构
关键词
D O I
10.1016/0301-0104(85)80075-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:235 / 242
页数:8
相关论文
共 27 条
[1]  
BERTHOD H, 1980, ISRAEL J CHEM, V19, P299
[2]   ON THE AFFINITIES OF AMMONIA AND WATER FOR LI+, NA+ AND K+ [J].
BERTHOD, H ;
PULLMAN, A .
CHEMICAL PHYSICS LETTERS, 1980, 70 (03) :434-437
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]  
BINKLEY JS, 1980, GAUSSIAN 80
[5]   ENERGETICS AND STRUCTURE OF NA+ CLUSTER IONS [J].
CASTLEMAN, AW ;
PETERSON, KI ;
UPSCHULTE, BL ;
SCHELLING, FJ .
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1983, 47 (JAN) :203-206
[6]   IONIC SOLVATION BY APROTIC-SOLVENTS - GAS-PHASE SOLVATION OF ALKALI IONS BY ACETONITRILE [J].
DAVIDSON, WR ;
KEBARLE, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (20) :6125-6133
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[10]  
HARIHARAN PC, 1973, THEOR CHIM ACTA, V28, P203