CALCULATION OF DYNAMIC ELECTRON-DENSITY DISTRIBUTIONS FROM STATIC MOLECULAR WAVE-FUNCTIONS

被引：34

作者：

STEVENS, ED ^{[1
]}

RYS, J ^{[1
]}

COPPENS, P ^{[1
]}

机构：

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

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 1977年 / 33卷 / MAR1期

关键词：

D O I：

10.1107/S0567739477000801

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：333 / 338

页数：6

共 13 条

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[2] CAN X-RAY DATA DISTINGUISH BONDING EFFECTS FROM VIBRATIONAL SMEARING
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[3] BORN INELASTIC DIFFERENTIAL CROSS SECTIONS IN H2
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) : 3754 - &
[4] TEMPERATURE FACTOR OF AN ATOM IN A RIGID VIBRATING MOLECULE .2. ANISOTROPIC THERMAL MOTION
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[J]. ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 : 260 - &
[5] PAWLEY GS, 1972, ADV STRUCT RES DIFFR, V4, P1
[6] THEORETICAL CALCULATION OF TIME-AVERAGED ELECTRON-DENSITY DISTRIBUTION FOR VIBRATING ETHYNE MOLECULES IN A MODEL CRYSTAL-STRUCTURE
RUYSINK, AFJ
VOS, A
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (JUL1): : 497 - 502
[7] RUYSINK AFJ, 1973, THESIS U GRONINGEN
[8] CONTRIBUTIONS OF INTERNAL MODES OF MOLECULES TO DEBYE-WALLER FACTORS
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[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1972, A 28 (NOV1): : 516 - 522
[9] DIRECT CALCULATION OF DYNAMIC DENSITIES
SCHERINGER, C
REITZ, H
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (MAR1): : 271 - 273
[10] ON RIGID-BODY MOTION OF MOLECULES IN CRYSTALS
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TRUEBLOOD, KN
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 : 63 - +

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