INVERSION AT TRIVALENT NITROGEN - APPLICATION OF THE MNDO AND MINDO/3 SEMI-EMPIRICAL MOLECULAR-ORBITAL METHODS

被引：30

作者：

JENNINGS, WB ^{[1
]}

WORLEY, SD ^{[1
]}

机构：

[1] AUBURN UNIV, DEPT CHEM, AUBURN, AL 36830 USA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1980年 / 10期

关键词：

D O I：

10.1039/p29800001512

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：1512 / 1515

页数：4

共 50 条

[21] A theoretical study of the dicyclopropylcarbinyl cation with the semi-empirical methods PM3, AMI, MNDO
Estevez, J
Hernandez, S
Estevez, J
Hernandez, J
Jesus, W
Estevez, J
Torres, R
Perez, I
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 500 - CHED
[22] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON ACIDIC HYDROCARBONS
LO, DH
WHITEHEA.MA
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (10): : 1513 - &
[23] SIMULATED SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .1. TRANSFERABILITY OF FOCK MATRIX-ELEMENTS
BAN, MI
BALINT, I
REVESZ, M
ACTA PHYSICA ET CHEMICA, 1979, 25 (3-4): : 113 - 127
[24] A MINDO MOLECULAR-ORBITAL DESCRIPTION OF THE 3 PHASES OF BORON-NITRIDE
CRAIG, BI
SMITH, PV
SOLID STATE COMMUNICATIONS, 1992, 81 (07) : 627 - 631
[25] SEMIEMPIRICAL MOLECULAR-ORBITAL TECHNIQUES APPLIED TO SILICON DIOXIDE - MINDO/3
EDWARDS, AH
FOWLER, WB
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1985, 46 (07) : 841 - 857
[26] Using semi-empirical molecular orbital methods in linear free energy relationships.
Famini, GR
Wilson, LY
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 123 - COMP
[27] TAUTOMERISM OF HYDROXYPYRIDAZINES - A SEMIEMPIRICAL (AM1, MNDO, MINDO/3, CNDO/S-CI) AND ABINITIO MOLECULAR-ORBITAL STUDY
FABIAN, WMF
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1990, 65 (3-4): : 295 - 307
[28] DETAILED POTENTIAL-ENERGY SURFACES FROM MNDO SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY .1. INTERCONVERSION OF THE 2-FLUOROETHYL AND ETHYLENE FLUORONIUM IONS
DEWAR, MJS
FORD, GP
JOURNAL OF MOLECULAR STRUCTURE, 1979, 51 (02) : 281 - 287
[29] Silicon in connective tissue: Semi-empirical molecular orbital models
Lobel, KD
West, JK
Hench, LL
BIOCERAMICS, VOL 10, 1997, : 557 - 560
[30] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON SOME TAUTOMERS OF CYTOSINE
BREEN, DL
FLURRY, RL
THEORETICA CHIMICA ACTA, 1971, 23 (02): : 138 - &

← 1 2 3 4 5 →