Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors

被引：0

作者：

Kulik, Marta ^{[1
]}

Chodkiewicz, Michal Leszek ^{[1
]}

Dominiak, Paulina Maria ^{[1
]}

机构：

[1] Univ Warsaw, Dept Chem, Biol & Chem Res Ctr, Warsaw, Poland

来源：

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2021年 / 77卷

关键词：

quantum crystallography; electron diffraction; Cryo; EM; electrostatic potential; MATTS;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

MS-58-5

引用

页码：C389 / C389

页数：1

共 31 条

[11] The Correlation between Calculated Electrostatic Potential and Crystal Structures; Theoretical Study and the Crystal Structure of 3-Bromopyridinium Aquatrichlorocuprate(II)
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CAO, X
LIAO, MZ
GU, XZ
LI, LF
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[19] THEORETICAL-STUDIES OF THE MECHANISM OF THE ACTION OF THE NEUROHYPOPHYSEAL HORMONES .1. MOLECULAR ELECTROSTATIC POTENTIAL (MEP) AND MOLECULAR ELECTROSTATIC-FIELD (MEF) MAPS OF SOME VASOPRESSIN ANALOGS
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GRANT, I
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