THEORETICAL TREATMENT OF MULTIPLE SITE REACTIVITY IN LARGE MOLECULES

被引：44

作者：

BARTLETT, RJ ^{[1
]}

WEINSTEIN, H ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 30卷 / 03期

关键词：

D O I：

10.1016/0009-2614(75)80027-3

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

页码：441 / 447

页数：7

共 21 条

[1] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2
BONACCOR.R
SCROCCO, E
TOMASI, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5270 - &
[2] N- VERSUS O-PROTON AFFINITIES OF AMIDE GROUP - AB-INITIO ELECTROSTATIC MOLECULAR POTENTIALS
BONACCORSI, R
TOMASI, J
SCROCCO, E
PULLMAN, A
[J]. CHEMICAL PHYSICS LETTERS, 1972, 12 (04) : 622 - +
[3] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE
BONACCORSI, R
TOMASI, J
SCROCCO, E
PULLMAN, A
[J]. THEORETICA CHIMICA ACTA, 1972, 24 (01): : 51 - +
[4] PERTURBED HARTREE-FOCK THEORY .I. DIAGRAMMATIC DOUBLE-PERTURBATION ANALYSIS
CAVES, TC
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (09) : 3649 - &
[5] THE STRUCTURES OF PYRIMIDINES AND PURINES .5. THE ELECTRON DISTRIBUTION IN ADENINE HYDROCHLORIDE
COCHRAN, W
[J]. ACTA CRYSTALLOGRAPHICA, 1951, 4 (02): : 81 - 92
[6] ATOMIC POLARIZABILITIES AND SHIELDING FACTORS
DALGARNO, A
[J]. ADVANCES IN PHYSICS, 1962, 11 (44) : 281 - 315
[7] MO-SCF-LCAO STUDIES OF SULFUR-COMPOUNDS .3. THIOPHENE
GELIUS, U
SIEGBAHN, P
ROOS, B
[J]. THEORETICA CHIMICA ACTA, 1972, 27 (03): : 171 - +
[8] ADENINE HYDROCHLORIDE HEMIHYDRATE - 3-DIMENSIONAL DATA AND REFINEMENT
KISTENMACHER, TJ
SHIGEMAT.T
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1974, 30 (JAN15): : 166 - 168
[9] CRYSTAL-STRUCTURE OF ADENINE DIHYDROCHLORIDE
KISTENMACHER, TJ
SHIGEMATSU, T
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1974, 30 (JUN15): : 1528 - 1533
[10] KISTENMACHER TJ, TO BE PUBLISHED

← 1 2 3 →