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
收藏
页码：120 / 133
页数：14
相关论文
共 64 条
  • [1] CALCULATION OF OPTIMAL ORIENTATION OF METHYL-GROUPS IN CRYSTALS
    AFONINA, NN
    ZORKII, PM
    [J]. JOURNAL OF STRUCTURAL CHEMISTRY, 1976, 17 (01) : 13 - 15
  • [2] CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTER - COMPUTER-BASED SEARCH, RETRIEVAL, ANALYSIS AND DISPLAY OF INFORMATION
    ALLEN, FH
    BELLARD, S
    BRICE, MD
    CARTWRIGHT, BA
    DOUBLEDAY, A
    HIGGS, H
    HUMMELINK, T
    HUMMELINKPETERS, BG
    KENNARD, O
    MOTHERWELL, WDS
    RODGERS, JR
    WATSON, DG
    [J]. 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
    BROCK, CP
    DUNITZ, JD
    [J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1982, 38 (AUG): : 2218 - 2228
  • [6] STRUCTURAL STUDIES OF CRYSTALLINE ENAMINES
    BROWN, KL
    HOBI, R
    DAMM, L
    DUNITZ, JD
    ESCHENMOSER, A
    KRATKY, C
    [J]. HELVETICA CHIMICA ACTA, 1978, 61 (08) : 3108 - 3135
  • [7] VIBRATION-SPECTRA AND NORMAL COORDINATE ANALYSIS OF CF3 COMPOUNDS .31. 1,1,1-TRIFLUOROETHANES CX3CF3
    BURGER, H
    NIEPEL, H
    PAWELKE, G
    [J]. 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
    BURGI, HB
    SHEFTER, E
    [J]. TETRAHEDRON, 1975, 31 (23) : 2976 - 2981
  • [9] PROTON TUNNELLING AND NITRO-GROUP TORSION IN 2-NITROMALONALDEHYDE
    CAMINATI, W
    [J]. 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
    CHAKRABARTI, P
    SEILER, P
    DUNITZ, JD
    SCHLUTER, AD
    SZEIMIES, G
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (24) : 7378 - 7380
1234567