ELECTRON-DENSITY AND LOCALIZABILITY IN BH

被引：7

作者：

DAUDEL, R ^{[1
]}

STEPHENS, ME ^{[1
]}

BURKE, LA ^{[1
]}

LEROY, G ^{[1
]}

机构：

[1] CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 52卷 / 03期

关键词：

D O I：

10.1016/0009-2614(77)80479-X

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：426 / 430

页数：5

共 26 条

[1] LOGE THEORY AS A STARTING POINT FOR VARIATIONAL CALCULATIONS .1. GENERAL FORMALISM [J].

ASLANGUL, C ;

CONSTANCIEL, R ;

DAUDEL, R ;

ESNAULT, L ;

LUDENA, EV .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (04) :499-522

[2]

ASLANGUL C, 1972, ADV QUANTUM CHEM, V6, P93, DOI DOI 10.1016/S0065-3276(08)60542-0

[3] SPATIAL LOCALIZATION OF ELECTRONIC PAIR AND NUMBER DISTRIBUTIONS IN MOLECULES [J].

BADER, RFW ;

STEPHENS, ME .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (26) :7391-7399

[4] CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER [J].

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :296-299

[5] THEORETICAL-STUDY OF DIELS-ALDER REACTION [J].

BURKE, LA ;

LEROY, G ;

SANA, M .

THEORETICA CHIMICA ACTA, 1975, 40 (04) :313-321

[6] THEORETICAL-STUDY OF AZIDO-TETRAZOLE ISOMERIZATION [J].

BURKE, LA ;

ELGUERO, J ;

LEROY, G ;

SANA, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (07) :1685-1690

[7]

CHALVET O, 1975, LOCALIZATION DELOCAL, V1, P207

[8] RELATIONSHIP BETWEEN SIZES AND ENERGIES OF ATOMIC ORBITALS [J].

DAUDEL, R ;

MEZEY, PG ;

GODDARD, JD ;

CSIZMADIA, IG .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1975, 53 (24) :3739-3746

[9] THEORY OF LONE PAIRS - RELATIONSHIP BETWEEN ORBITAL ENERGY CONTRIBUTIONS AND 2ND MOMENTS OF LOCALIZED ORBITALS IN 10 ELECTRON HYDRIDES [J].

DAUDEL, R ;

KAPUY, E ;

KOZMUTZA, C ;

GODDARD, JD ;

CSIZMADIA, IG .

CHEMICAL PHYSICS LETTERS, 1976, 44 (02) :197-203

[10] RELATIONSHIP BETWEEN SIZES AND ENERGIES OF LOCALIZED MOLECULAR-ORBITALS .1. STUDY OF SELECTED FIRST-ROW HYDRIDES [J].

DAUDEL, R ;

GODDARD, JD ;

CSIZMADIA, IG .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (01) :137-147

← 1 2 3 →