HYDROGEN-BOND STUDIES .77. ELECTRON-DENSITY DISTRIBUTION IN ALPHA-GLYCINE - X-N DIFFERENCE FOURIER SYNTHESIS VS AB-INITIO CALCULATIONS

被引：120

作者：

ALMLOF, J ^{[1
]}

KVICK, A ^{[1
]}

THOMAS, JO ^{[1
]}

机构：

[1] UPPSALA UNIV,INST CHEM,BOX 531,S-751 21 UPPSALA,SWEDEN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 08期

关键词：

D O I：

10.1063/1.1680574

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：3901 / 3906

页数：6

共 18 条

[1] HYDROGEN-BOND STUDIES .70. AB-INITIO CALCULATIONS OF SOME PROPERTIES OF WATER MOLECULES IN FREE STATE AND IN SOLID HYDRATES [J].

ALMLOF, J ;

TEGENFELDT, J ;

LINDGREN, J .

JOURNAL OF MOLECULAR STRUCTURE, 1972, 14 (03) :427-+

[2] HYDROGEN-BOND STUDIES .66. AB-INITIO STUDIES OF CONFORMATION OF OXONIUM ION IN SOLIDS [J].

ALMLOF, J ;

WAHLGREN, U .

THEORETICA CHIMICA ACTA, 1973, 28 (02) :161-168

[3]

ALMLOF J, 1972, USIP7209 U STOCKH RE

[4] MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE [J].

BONACCORSI, R ;

TOMASI, J ;

SCROCCO, E ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1972, 24 (01) :51-+

[5] CALCULATION OF ABSORPTION CORRECTIONS FOR CAMERA AND DIFFRACTOMETER DATA [J].

COPPENS, P ;

LEISEROWITZ, L ;

RABINOVICH, D .

ACTA CRYSTALLOGRAPHICA, 1965, 18 :1035-+

[6] ANISOTROPIC EXTINCTION CORRECTION IN ZACHARIASEN APPROXIMATION [J].

COPPENS, P ;

HAMILTON, WC .

ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :71-&

[7] AN EXPERIMENTAL DETERMINATION OF ASPHERICITY OF ATOMIC CHARGE DISTRIBUTION IN OXALIC ACID DIHYDRATE [J].

COPPENS, P ;

SABINE, TM ;

DELAPLAN.RG ;

IBERS, JA .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1969, B 25 :2451-&

[8] ELECTRON DENSITY DISTRIBUTION IN CYANURIC ACID .2. NEUTRON DIFFRACTION STUDY AT LIQUID NITROGEN TEMPERATURE AND COMPARISON OF X-RAY AND NEUTRON DIFFRACTION RESULTS [J].

COPPENS, P ;

VOS, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (JAN15) :146-+

[9] HFS ATOMIC SCATTERING FACTORS [J].

HANSON, HP ;

SKILLMAN, S ;

HERMAN, F ;

LEA, JD .

ACTA CRYSTALLOGRAPHICA, 1964, 17 (08) :1040-&

[10] PRECISION NEUTRON-DIFFRACTION STRUCTURE DETERMINATION OF PROTEIN AND NUCLEIC-ACID COMPONENTS .3. CRYSTAL AND MOLECULAR STRUCTURE OF AMINO-ACID ALPHA-GLYCINE [J].

JONSSON, PG ;

KVICK, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1972, B 28 (06) :1827-&

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