CNDO MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .I. VIRTUAL-ORBITAL APPROXIMATION TO EXCITED STATES

被引:80
作者
KROTO, HW
SANTRY, DP
机构
关键词
D O I
10.1063/1.2140499
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:792 / &
相关论文
共 18 条
[1]   VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA [J].
BENEDICT, WS ;
PLYLER, EK .
CANADIAN JOURNAL OF PHYSICS, 1957, 35 (10) :1235-1241
[2]   THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE [J].
DALBY, FW .
CANADIAN JOURNAL OF PHYSICS, 1958, 36 (10) :1336-&
[3]  
DOUGLAS AE, 1963, DISCUSS FARADAY SOC, P158
[4]  
HERZBERG G, 1966, ELECTRONIC SPECTRA E
[5]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[6]   EXCITED STATES OF ACETYLENE .1. POSSIBILITIES OF INTERACTION BETWEEN SIGMA-BOND HYBRIDISATION AND PI-ELECTRON EXCITATION WITH RESULTING CHANGES OF SHAPE DURING TRANSITIONS [J].
INGOLD, CK ;
KING, GW .
JOURNAL OF THE CHEMICAL SOCIETY, 1953, (SEP) :2702-2704
[7]  
JAFFE HH, 1962, SPECTRA APPLICATIONS
[8]   CENTRIFUGAL DISTORTION IN ASYMMETRIC TOP MOLECULES .1. ORDINARY FORMALDEHYDE, H2C12O [J].
LAWRANCE, RB ;
STRANDBERG, MWP .
PHYSICAL REVIEW, 1951, 83 (02) :363-369
[9]   ROTATIONAL ANALYSIS OF BANDS OF HCF MOLECULE [J].
MERER, AJ ;
TRAVIS, DN .
CANADIAN JOURNAL OF PHYSICS, 1966, 44 (07) :1541-&
[10]  
MURRELL GN, 1963, THEORY SPECTRA ORGAN