MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS

被引:711
作者
LATHAN, WA
HEHRE, WJ
CURTISS, LA
POPLE, JA
机构
关键词
D O I
10.1021/ja00753a007
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6377 / +
页数:1
相关论文
共 66 条
[1]   QUANTUM THEORY OF STRUCTURE AND DYNAMICS [J].
ALLEN, LC .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1969, 20 :315-+
[2]   AB-INITIO STUDY OF GEOMETRIES, JAHN-TELLER DISTORTIONS, AND ELECTRONIC CHARGE DISTRIBUTION IN CH4+ION [J].
ARENTS, J ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :73-&
[3]   MEAN AND EQUILIBRIUM MOLECULAR STRUCTURES OF METHANE AND DEUTEROMETHANE AS DETERMINED BY ELECTRON DIFFRACTION [J].
BARTELL, LS ;
KUCHITSU, K ;
DENEUI, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) :1211-&
[4]   NEW THEORETICAL EVIDENCE FOR NONLINEARITY OF TRIPLET GROUND STATE OF METHYLENE [J].
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) :4984-+
[5]   ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2 [J].
BERNHEIM, RA ;
BERNARD, HW ;
WANG, PS ;
WOOD, LS ;
SKELL, PS .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1280-&
[6]   H ATOM ADDUCTS-NEW FREE RADICALS [J].
BERNSTEIN, HJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (04) :484-&
[7]  
Berry R. S., 1970, NITRENES, P13
[8]   STABILITY OF AMMONIUM RADICAL ( NH4 ) [J].
BISHOP, DM .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (02) :432-&
[9]   THEORETICAL INVESTIGATION OF H30 AND H40+ [J].
BISHOP, DM .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2474-&
[10]  
BOTTER R, 1968, ADV MASS SPECTROM, V4, P579