INTERNAL MOLECULAR MOTIONS IN CRYSTALS - THE ESTIMATION OF FORCE-CONSTANTS, FREQUENCIES AND BARRIERS FROM DIFFRACTION DATA - A FEASIBILITY STUDY

被引：97

作者：

TRUEBLOOD, KN ^{[1
]}

DUNITZ, JD ^{[1
]}

机构：

[1] SWISS FED INST TECHNOL,ORGAN CHEM LAB,CH-8092 ZURICH,SWITZERLAND

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1983年 / 39卷 / FEB期

关键词：

D O I：

10.1107/S0108768183002104

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：120 / 133

页数：14

共 64 条

[1] CALCULATION OF OPTIMAL ORIENTATION OF METHYL-GROUPS IN CRYSTALS [J].

AFONINA, NN ;

ZORKII, PM .

JOURNAL OF STRUCTURAL CHEMISTRY, 1976, 17 (01) :13-15

[2] CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTER - COMPUTER-BASED SEARCH, RETRIEVAL, ANALYSIS AND DISPLAY OF INFORMATION [J].

ALLEN, FH ;

BELLARD, S ;

BRICE, MD ;

CARTWRIGHT, BA ;

DOUBLEDAY, A ;

HIGGS, H ;

HUMMELINK, T ;

HUMMELINKPETERS, BG ;

KENNARD, O ;

MOTHERWELL, WDS ;

RODGERS, JR ;

WATSON, DG .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (OCT) :2331-2339

[3]

ALLEN G, 1974, INTERNAL ROTATION MO

[4]

BAAS JMA, 1980, RECL TRAV CHIM PAY B, V99, P228

[5] TEMPERATURE-DEPENDENCE OF THERMAL MOTION IN CRYSTALLINE NAPHTHALENE [J].

BROCK, CP ;

DUNITZ, JD .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1982, 38 (AUG) :2218-2228

[6] STRUCTURAL STUDIES OF CRYSTALLINE ENAMINES [J].

BROWN, KL ;

HOBI, R ;

DAMM, L ;

DUNITZ, JD ;

ESCHENMOSER, A ;

KRATKY, C .

HELVETICA CHIMICA ACTA, 1978, 61 (08) :3108-3135

[7] VIBRATION-SPECTRA AND NORMAL COORDINATE ANALYSIS OF CF3 COMPOUNDS .31. 1,1,1-TRIFLUOROETHANES CX3CF3 [J].

BURGER, H ;

NIEPEL, H ;

PAWELKE, G .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1980, 36 (01) :7-15

[8] OUT-OF-PLANE DEFORMATIONS OF CYCLIC POLYENES - FORCE-FIELD INTERPRETATION OF STRUCTURAL DATA [J].

BURGI, HB ;

SHEFTER, E .

TETRAHEDRON, 1975, 31 (23) :2976-2981

[9] PROTON TUNNELLING AND NITRO-GROUP TORSION IN 2-NITROMALONALDEHYDE [J].

CAMINATI, W .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1982, 78 :825-838

[10] EXPERIMENTAL-EVIDENCE FOR THE ABSENCE OF BONDING ELECTRON-DENSITY BETWEEN INVERTED CARBON-ATOMS [J].

CHAKRABARTI, P ;

SEILER, P ;

DUNITZ, JD ;

SCHLUTER, AD ;

SZEIMIES, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (24) :7378-7380

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