ELECTRON-DENSITY OF ORTHOBORIC ACID DETERMINED BY X-RAY-DIFFRACTION AT 105-K AND ABINITIO CALCULATIONS

被引：50

作者：

GAJHEDE, M

LARSEN, S

RETTRUP, S

机构：

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1986年 / 42卷

关键词：

D O I：

10.1107/S0108768186097720

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：545 / 552

页数：8

共 30 条

[1]

ALMLOF J, 1974, USIP7429 U STOCKH RE

[2]

[Anonymous], 1974, INT TABLES XRAY CRYS, VIV

[3]

BAGUS PS, 1971, IBM RJ1077 RES REP

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

COPPENS, P ;

LEISEROWITZ, L ;

RABINOVICH, D .

ACTA CRYSTALLOGRAPHICA, 1965, 18 :1035-+

[5] PROJECT ON COMPARISON OF STRUCTURAL PARAMETERS AND ELECTRON-DENSITY MAPS OF OXALIC-ACID DIHYDRATE [J].

COPPENS, P ;

DAM, J ;

HARKEMA, S ;

FEIL, D ;

FELD, R ;

LEHMANN, MS ;

GODDARD, R ;

KRUGER, C ;

HELLNER, E ;

JOHANSEN, H ;

LARSEN, FK ;

KOETZLE, TF ;

MCMULLAN, RK ;

MASLEN, EN ;

STEVENS, ED ;

COPPENS, P .

ACTA CRYSTALLOGRAPHICA SECTION A, 1984, 40 (MAY) :184-195

[6]

COPPENS P, 1982, ELECTRON DISTRIBUTIO, P61

[7] A NEUTRON DIFFRACTION STUDY OF ORTHOBORIC ACID D311BO3 [J].

CRAVEN, BM ;

SABINE, TM .

ACTA CRYSTALLOGRAPHICA, 1966, 20 :214-&

[8] RELATIVISTIC CALCULATION OF ANOMALOUS SCATTERING FACTORS FOR X-RAYS [J].

CROMER, DT ;

LIBERMAN, D .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) :1891-&

[9] X-RAY SCATTERING FACTORS COMPUTED FROM NUMERICAL HARTREE-FOCK WAVE FUNCTIONS [J].

CROMER, DT ;

MANN, JB .

ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :321-&

[10] THE ELECTRON-DENSITY OF ALPHA-OXALIC ACID DIHYDRATE AT 100-K BY X-RAY-DIFFRACTION - A CONTRIBUTION TO THE IUCR COMMISSION ON CHARGE, SPIN AND MOMENTUM DENSITIES PROJECT ON THE ACCURATE DETERMINATION OF ELECTRON-DENSITIES [J].

DAM, J ;

HARKEMA, S ;

FEIL, D .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1983, 39 (DEC) :760-768

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