AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE

被引：101

|

作者：

BUENKER, RJ

WHITTEN, JL

PETKE, JD

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1968年 / 49卷 / 05期

关键词：

D O I：

10.1063/1.1670394

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：2261 / &

相关论文

共 50 条

[41] Ab initio MRD-CI investigation of the electronic spectrum of glyoxal (CHO)2
Gruber-Stadler, M.
Muehlhaeuser, M.
Nielsen, C. J.
MOLECULAR PHYSICS, 2006, 104 (15) : 2515 - 2521
[42] Ab initio MRD-CI investigation of the electronic spectrum of glyoxal (CHO)2
Gruber-Stadler, Margret
Muelhauser, Max
Nielsen, Claus J.
Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B, 2005, 4A-4B : 1496 - 1497
[43] TECHNIQUE FOR ORBITAL EXPONENT OPTIMIZATION IN AB-INITIO HF-SCF-LCAO-MO CALCULATIONS
LOUBRIEL, GM
SELSBY, RG
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (04) : 547 - 557
[44] Ab initio SCF-MO study of quirlones of azulene
Yavari, Issa
Zabarjad-Shiraz, Nader
DYES AND PIGMENTS, 2007, 75 (03) : 669 - 674
[45] Ab initio SCF-MO study of quinones of pyridine
Yavari, Issa
Zabarjad-Shiraz, Nader
DYES AND PIGMENTS, 2007, 75 (02) : 474 - 478
[46] SEMIEMPIRICAL SCF-MO-CI CALCULATIONS ON ELECTRONIC SPECTRA OF CHLOROPHENANTHRENES WITH A VARIABLE-BETA APPROXIMATION
TINLAND, B
JOURNAL OF MOLECULAR STRUCTURE, 1969, 3 (4-5) : 433 - &
[47] AB-INITIO SCF-MO-CI CALCULATIONS FOR H-, H2, AND H3+ USING GAUSSIAN BASIS SETS
CSIZMADIA, IG
KARI, RE
POLANYI, JC
ROACH, AC
ROBB, MA
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12): : 6205 - +
[48] AB-INITIO SCF CALCULATIONS ON MOLECULES NITROAMINE AND NITROSAMINE
GROPEN, O
SKANCKE, PN
ACTA CHEMICA SCANDINAVICA, 1971, 25 (04): : 1241 - &
[49] AB-INITIO SCF-MO CALCULATIONS OF ELECTRONIC STRUCTURES OF PH3,PF3 AND PME3
HILLIER, IH
SAUNDERS, VR
TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (574): : 2401 - &
[50] Ab initio calculations of the geometry, electronic structure, and vibrational spectrum of (acetoxymethyl)triflouorosilane
Lazarev, IM
Ratovskii, GV
Brodskaya, EI
Lazareva, NF
RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2003, 73 (07) : 1065 - 1071

← 1 2 3 4 5 →