ELECTRONIC-STRUCTURE OF NITROGEN-DIOXIDE .1. MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF LOW-LYING ELECTRONIC STATES

被引：275
作者：
GILLISPIE, GD
KHAN, AU
WAHL, AC
HOSTENY, RP
KRAUSS, M
机构：
[1] MICHIGAN STATE UNIV,DEPT CHEM,E LANSING,MI 48824
[2] ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
[3] NBS,WASHINGTON,DC 20234
[4] MICHIGAN STATE UNIV,DEPT BIOPHYS,E LANSING,MI 48824
来源：
JOURNAL OF CHEMICAL PHYSICS | 1975年 / 63卷 / 08期
关键词：
D O I：
10.1063/1.431780
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：3425 / 3444
页数：20
相关论文
共 47 条
[1]   RESONANCE FLUORESCENCE SPECTRUM OF NITROGEN DIOXIDE [J].
ABE, K ;
MYERS, F ;
MCCUBBIN, TK ;
POLO, SR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 38 (03) :552-&
[2]   LASER EXCITED FLUORESCENCE-SPECTRUM OF NITROGEN-DIOXIDE [J].
ABE, K .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (02) :395-408
[3]   INFRARED SPECTRA AND MOLECULAR CONSTANTS OF (NO2)-O-14 AND (NO2)-O-15 [J].
ARAKAWA, ET ;
NIELSEN, AH .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1958, 2 (05) :413-427
[4]  
BILLINGS.FP, 1974, J CHEM PHYS, V60, P4130, DOI 10.1063/1.1680880
[5]   MICROWAVE SPECTRUM OF NO2 - FINE STRUCTURE + MAGNETIC COUPLING [J].
BIRD, GR ;
RASTRUPANDERSEN, J ;
BRANSFORD, JW ;
CURL, RF ;
KUNKLE, AC ;
HODGESON, JA ;
JACHE, AW ;
BAIRD, JC ;
ROSENTHAL, J .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (11) :3378-&
[6]   RESONANCE FLUORESCENCE AND ABSORPTION-SPECTRUM OF NITROGEN-DIOXIDE [J].
BRAND, JCD ;
HARDWICK, JL ;
PIRKLE, RJ ;
SELISKAR, CJ .
CANADIAN JOURNAL OF PHYSICS, 1973, 51 (20) :2184-2188
[7]   ROTATIONAL ANALYSIS OF 8000-9000 A BANDS OF NITROGEN-DIOXIDE [J].
BRAND, JCD ;
CHAN, WH ;
HARDWICK, JL .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 56 (02) :309-328
[8]   ELECTRONIC STRUCTURE OF NO2 STUDIED BY PHOTOELECTRON AND VACUUM-UV SPECTROSCOPY AND GAUSSIAN ORBITAL CALCULATIONS [J].
BRUNDLE, CR ;
NEUMANN, D ;
PRICE, WC ;
EVANS, D ;
POTTS, AW ;
STREETS, DG .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) :705-&
[9]   ELECTRONIC STRUCTURE AND ELECTRONIC SPECTRUM OF NITROGEN DIOXIDE - STUDY BY NONEMPIRICAL SELF-CONSISTENT FIELD METHOD [J].
BURNELLE, L ;
MAY, AM ;
GANGI, RA .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) :561-&
[10]   INTERPRETATION OF VISIBLE SPECTRUM OF NITROGEN DIOXIDE [J].
BURNELLE, L ;
DRESSLER, KP .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2758-&
12345