MODEL FOR AB-INITIO CALCULATION OF SOME SOLVENT EFFECTS

被引：70
|
作者：
HYLTON, J [1 ]
CHRISTOF.RE [1 ]
HALL, GG [1 ]
机构：
[1] UNIV KANSAS, CHEM DEPT, LAWRENCE, KS 66045 USA
来源：
CHEMICAL PHYSICS LETTERS | 1974年 / 24卷 / 04期
关键词：
D O I：
10.1016/0009-2614(74)80164-8
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
收藏
页码：501 / 504
页数：4
相关论文
共 50 条
  • [1] FAST AB-INITIO CALCULATION OF SOLVENT ENVELOPES FOR PROTEIN STRUCTURES
    HARRIS, GW
    ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1995, 51 : 695 - 702
  • [2] Solvent effects on acetonitrile anion: Ab-initio modeling.
    Kulkarni, VV
    Fleming, FF
    Madura, JD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U407 - U407
  • [3] Linear and nonlinear optical susceptibilities in some ferroelectrics: Ab-initio calculation
    Akkus, Harun
    Cabuk, Suleyman
    Mamedov, Amirullah M.
    INTERNATIONAL JOURNAL OF NANOELECTRONICS AND MATERIALS, 2010, 3 (02): : 53 - 67
  • [4] AB-INITIO CALCULATION OF FORCE CONSTANTS FOR SOME DIATOMIC-MOLECULES
    PEREVOZCHIKOV, VI
    GRIBOV, LA
    OPTIKA I SPEKTROSKOPIYA, 1975, 38 (03): : 510 - 512
  • [5] AB-INITIO CALCULATION OF FORCE FIELD OF ETHYLENE
    PULAY, P
    MEYER, W
    JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 40 (01) : 59 - &
  • [6] AB-INITIO CALCULATION OF BONDING IN NICKEL TETRACARBONYL
    HILLIER, IH
    SAUNDERS, VR
    JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (12): : 642 - &
  • [7] AB-INITIO VALENCE BOND CALCULATION OF BENZENE
    NORBECK, JM
    GALLUP, GA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (13) : 4460 - 4461
  • [8] AB-INITIO CORRELATION CALCULATION FOR METALLIC LITHIUM
    HEILINGBRUNNER, A
    STOLLHOFF, G
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (09): : 6799 - 6809
  • [9] Ab-initio calculation of the optical properties of surfaces
    Onida, G
    Del Sole, R
    Palummo, M
    Pulci, O
    Reining, L
    PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 1998, 170 (02): : 365 - 375
  • [10] AB-INITIO CALCULATION OF MOLECULES .2.
    ULMER, W
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1972, A 27 (12): : 1713 - 1716
12345