ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .4. EVALUATION OF 2 CENTER FORMALISMS IN LEAST-SQUARES REFINEMENT

被引：25

作者：

JONES, DS ^{[1
]}

PAUTLER, D ^{[1
]}

COPPENS, P ^{[1
]}

机构：

[1] SUNY, CHEM DEPT, BUFFALO, NY 14214 USA

来源：

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 1972年 / A 28卷 / NOV1期

关键词：

D O I：

10.1107/S0567739472001573

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：635 / 645

页数：11

共 13 条

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[2] ELECTRON DENSITY DISTRIBUTION IN CYANURIC ACID .2. NEUTRON DIFFRACTION STUDY AT LIQUID NITROGEN TEMPERATURE AND COMPARISON OF X-RAY AND NEUTRON DIFFRACTION RESULTS
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VOS, A
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (JAN15): : 146 - +
[3] ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .2. APPLICATION OF ONE-CENTER FORMALISMS TO SOME ORGANIC AND INORGANIC MOLECULES
COPPENS, P
PAUTLER, D
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (05) : 1051 - &
[4] ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .1. FORMALISMS AND RESTRICTIONS
COPPENS, P
WILLOUGH.TV
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[J]. ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1971, A 27 (MAY1) : 248 - &
[5] A MATHEMATICAL MODEL-BUILDING PROCEDURE FOR PROTEINS
DIAMOND, R
[J]. ACTA CRYSTALLOGRAPHICA, 1966, 21 : 253 - &
[6] HALGREN TA, 1971, CHEM PHYS LETT, V8, P547, DOI 10.1016/0009-2614(71)80088-X
[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[8] ANALYSIS OF DIBORANE X-RAY DIFFRACTION DATA UTILIZING STRUCTURE FACTORS CALCULATED FROM MOLECULAR WAVE FUNCTIONS
JONES, DS
LIPSCOMB, WN
[J]. ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 : 196 - &
[9] MATTHEWS D, TO BE PUBLISHED
[10] CHARGE DENSITIES AND BOND ORDERS FOR ZERO DIFFERENTIAL OVERLAP WAVEFUNCTIONS - COMPARISON WITH AB-INITIO CALCULATIONS AND DIFFRACTION RESULTS
MCIVER, JW
COPPENS, P
NOWAK, D
[J]. CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) : 82 - &

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