SEMI-EMPIRICAL MOLECULAR ORBITAL STUDIES OF AROMATIC HYDROCARBONS .2.

被引：25

作者：

SKANCKE, PN

机构：

来源：

ACTA CHEMICA SCANDINAVICA | 1965年 / 19卷 / 02期

关键词：

D O I：

10.3891/acta.chem.scand.19-0401

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：401 / &

共 50 条

[31] COMMENTARY ON THE SCHEME OF THE SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATION - COMMENTARY TO PULLMAN COMMUNICATION
KASHA, M
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1961, 58 (10) : 914 - 915
[32] EVALUATION OF ONE-CENTRE INTEGRALS IN SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY
OLEARI, L
DISIPIO, L
DEMICHEL.G
MOLECULAR PHYSICS, 1966, 10 (02) : 97 - &
[33] Semi-empirical molecular orbital models for transition metal inorganics and organometallics.
Hehre, WJ
Yu, JG
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 216 - PMSE
[34] CALCULATION ON THE ELECTRONIC STATES OF THE ACROLEIN MOLECULE BY THE SEMI-EMPIRICAL MOLECULAR ORBITAL METHOD
INUZUKA, K
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1961, 34 (01) : 6 - 8
[35] Toward a transferable parametrization for carbon in a periodic semi-empirical molecular orbital scheme
L. De Maria
M. Peressi
S. Baroni
Theoretical Chemistry Accounts, 1998, 100 : 333 - 338
[36] Representations of atomic virtual orbitals for use in semi-empirical molecular orbital calculations
Corrington, Josce H.
CHEMICAL PHYSICS LETTERS, 1970, 5 (07) : 416 - 423
[37] Molecular Docking and Semi-Empirical Quantum Studies on Cholesterol with Cyclodextrins
Hosouna, Boubaker
Abdusalam, Ashraf A. A.
Aboul-Enein, Hassan Y.
Wagdy, Hebatallah A.
CURRENT NUTRITION & FOOD SCIENCE, 2018, 14 (03) : 204 - 210
[38] SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF DICYCLOPENTADIENYLBERYLLIUM (C5H5)2BE
SUNDBOM, M
ACTA CHEMICA SCANDINAVICA, 1966, 20 (06): : 1608 - &
[39] SEMI-EMPIRICAL METHOD FOR PREDICTION OF DISTANCES OF CARBON-CARBON BOND OF AROMATIC AND POLYENE HYDROCARBONS
GASTMANS, JP
GASTMANS, DF
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1970, 67 (09) : 1563 - &
[40] Electronic indices from semi-empirical calculations to identify carcinogenic activity of polycyclic aromatic hydrocarbons
Barone, PMVB
Braga, RS
Camilo, A
Galvao, DS
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 505 : 55 - 66

← 1 2 3 4 5 →