NEAR-MOLECULAR HARTREE-FOCK WAVEFUNCTIONS FOR CH3O-, CH3OH, AND CH3OH2+

被引:49
作者
TEL, LM
WOLFE, S
CSIZMADIA, IG
机构
[1] UNIV VALLADOLID, FAC CIENC, DEPT QUIM FIS, VALLADOLID, SPAIN
[2] QUEENS UNIV, DEPT CHEM, KINGSTON, ONTARIO, CANADA
[3] UNIV TORONTO, DEPT CHEM, TORONTO 5, ONTARIO, CANADA
关键词
D O I
10.1063/1.1680597
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:4047 / 4060
页数:14
相关论文
共 42 条
[1]  
BADER RFW, 1971, THEORETICAL ASPECTS, pCH1
[2]   ELECTRONIC STATES OF AMIDE GROUP [J].
BASCH, H ;
ROBIN, MB ;
KUEBLER, NA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) :1201-&
[3]   GAS-PHASE ACIDITIES OF ALCOHOLS [J].
BRAUMAN, JI ;
BLAIR, LK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (20) :5986-&
[4]  
CLEMENTI E, 1963, J CHEM PHYS, V38, P1001, DOI 10.1063/1.1733745
[5]   ATOMIC NEGATIVE IONS [J].
CLEMENTI, E ;
MCLEAN, AD .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (2A) :A419-&
[7]   BARRIERS TO PYRAMIDAL INVERSION AT PHOSPHORUS IN PHOSPHOLES, PHOSPHINDOLES, AND DIBENZOPHOSPHOLES [J].
EGAN, W ;
TANG, R ;
ZON, G ;
MISLOW, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (23) :6205-&
[8]   ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE [J].
FINK, WH ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2261-&
[9]  
HEHRE WJ, 1970, TETRAHEDRON LETT, P2959
[10]  
Herzberg G, 1945, MOLECULAR SPECTRA MO