CONFIRMATION OF DISCREPANCY BETWEEN THEORY AND EXPERIMENT FOR B1A'' STATE OF HCN

被引:16
作者
SCHWENZER, GM
BENDER, CF
SCHAEFER, HF
机构
[1] UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
[2] UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
关键词
D O I
10.1016/0009-2614(75)87010-2
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:179 / 182
页数:4
相关论文
共 10 条
[2]   ULTRAVIOLET ABSORPTION SPECTRA OF HCN AND DCN .1. THE ALPHA-X AND BETA-X SYSTEMS [J].
HERZBERG, G ;
INNES, KK .
CANADIAN JOURNAL OF PHYSICS, 1957, 35 (08) :842-879
[3]  
HERZBERG G, 1966, ELECTRONIC SPECTRA P
[4]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[5]   POTENTIAL-ENERGY SURFACE FOR MODEL UNIMOLECULAR REACTION HNC -] HCN [J].
PEARSON, PK ;
SCHAEFER, HF ;
WAHLGREN, U .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (02) :350-354
[6]   EVEN-TEMPERED ATOMIC ORBITALS .2. ATOMIC SCF WAVEFUNCTIONS IN TERMS OF EVEN-TEMPERED EXPONENTIAL BASES [J].
RAFFENETTI, RC .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5936-5949
[7]  
SCHAEFER HF, 1972, ELECTRONIC STRUCTURE
[8]   GEOMETRIES OF EXCITED ELECTRONIC STATES OF HCN [J].
SCHWENZER, GM ;
ONEIL, SV ;
SCHAEFER, HF ;
BASKIN, CP ;
BENDER, CF .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2787-2793
[9]  
SCHWENZER GM, 1975, LBL3486 LAWR BERK LA
[10]   THE ELECTRONIC ORBITALS, SHAPES, AND SPECTRA OF POLYATOMIC MOLECULES .3. HAB AND HAAH MOLECULES [J].
WALSH, AD .
JOURNAL OF THE CHEMICAL SOCIETY, 1953, (AUG) :2288-2296