HETERO-ATOMIC MOLECULES - SEMI-EMPIRICAL (PI + OMICRON) MOLECULAR ORBITAL CALCULATIONS AND PREDICTION OF PHYSICAL PROPERTIES

被引：20

|

作者：

ZEISS, GD

WHITEHEA.MA

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL | 1971年 / 11期

关键词：

D O I：

10.1039/j19710001727

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：1727 / &

相关论文

共 50 条

[1] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON PI-ELECTRON SYSTEMS
THURAISINGHAM, RA
NILAR, SHM
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (02) : 397 - 401
[2] Representations of atomic virtual orbitals for use in semi-empirical molecular orbital calculations
Corrington, Josce H.
CHEMICAL PHYSICS LETTERS, 1970, 5 (07) : 416 - 423
[3] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON ACIDIC HYDROCARBONS
LO, DH
WHITEHEA.MA
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (10): : 1513 - &
[4] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS . BIS-(PI-ALLYL) NICKEL - PHYS
WHEELOCK, KS
NELSON, JH
JONASSEN, HB
CUSACHS, LC
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1970, (FEB): : 26 - &
[5] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON SOME TAUTOMERS OF CYTOSINE
BREEN, DL
FLURRY, RL
THEORETICA CHIMICA ACTA, 1971, 23 (02): : 138 - &
[6] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON TUBERCOSTATIC THIOAMIDES
KEYS, RT
INANOUCCI, I
VALDEZ, C
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1988, 196 : 10 - COMP
[7] Theoretical CD spectrum evaluation of the indolylfulgide molecules by using semi-empirical molecular orbital calculations
Ankai, E
Sakakibara, K
Uchida, S
Uchida, Y
Yokoyama, Y
Yokoyama, Y
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2001, 74 (06) : 1101 - 1108
[8] COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS
AMMETER, JH
BURGI, HB
THIBEAULT, JC
HOFFMANN, R
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) : 3686 - 3692
[9] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS OF CU(2) CHLORIDE SPECTRA
SCHLUETE.AW
MCQUIRTE.W
JACOBSON, RA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1969, (APR): : I163 - &
[10] VARIATION OF CORE RESONANCE INTEGRAL IN SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS
FARBROT, EM
SKANCKE, PN
ACTA CHEMICA SCANDINAVICA, 1970, 24 (07): : 2652 - &

← 1 2 3 4 5 →