MOLECULAR ELECTROSTATIC POTENTIAL SURFACES OF 3-METHOXY-2-PROPENONE - A COMPARISON BETWEEN CNDO/2 AND ABINITIO CALCULATIONS

被引：0

作者：

NORINDER, U

机构：

来源：

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY | 1987年 / 41卷 / 01期

关键词：

D O I：

10.3891/acta.chem.scand.41a-0008

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：8 / 11

页数：4

共 12 条

[1]

[Anonymous], 1982, ACS MONOGRAPH

[2] USE OF MOLECULAR ELECTROSTATIC POTENTIALS IN STUDY OF PROTONATION OF TOLUENE [J].

CHALVET, O ;

DECORET, C ;

ROYER, J .

TETRAHEDRON, 1976, 32 (23) :2927-2929

[3] MOLECULAR ELECTROSTATIC POTENTIALS - COMPARISON OF AB-INITIO AND CNDO RESULTS [J].

GIESSNER.C ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1972, 25 (01) :83-&

[4] COMPUTER-ASSISTED DRUG DESIGN [J].

HOPFINGER, AJ .

JOURNAL OF MEDICINAL CHEMISTRY, 1985, 28 (09) :1133-1139

[5]

LIPKOWITZ KB, 1984, TETRAHEDRON LETT, P2297

[6]

NORINDER U, UNPUB

[7]

PETRONGOLO C, 1978, GAZZ CHIM ITAL, V108, P445

[8]

PHILLIPS AC, QCPE274 PROGR

[9] EFFECTS OF AMINO AND NITRO SUBSTITUENTS UPON THE ELECTROSTATIC POTENTIAL OF AN AROMATIC RING [J].

POLITZER, P ;

ABRAHMSEN, L ;

SJOBERG, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (04) :855-860

[10] MOLECULAR ELECTROSTATIC POTENTIALS .2. MECHANISTIC ASPECTS OF ELECTROPHILIC INTERACTIONS OF SOME 5-MEMBERED HETEROCYCLES [J].

POLITZER, P ;

WEINSTEIN, H .

TETRAHEDRON, 1975, 31 (08) :915-923

← 1 2 →