USE OF RESTRAINED GAUSSIAN BASES IN AB-INITIO CALCULATIONS

被引:0
|
作者
JASPERS, S
LEROY, G
机构
关键词
D O I
10.1051/jcp/1972690951
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:951 / +
页数:1
相关论文
共 50 条
  • [31] Ab-Initio Calculations of the Vibrational Properties of Nanostructures
    Bester, Gabriel
    Han, Peng
    HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING'13: TRANSACTIONS OF THE HIGH PERFORMANCE COMPUTING CENTER, STUTTGART (HLRS) 2013, 2013, : 167 - 181
  • [32] Ab-initio calculations of electronic circular dichroism
    Hansen, AE
    Bak, KL
    ENANTIOMER, 1999, 4 (05): : 455 - +
  • [33] AB-INITIO SCF CALCULATIONS ON PYRROLE AND PYRAZOLE
    KAUFMAN, JJ
    PRESTON, HJT
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1973, (AUG26): : 60 - 60
  • [34] CHEMICAL BOND AND AB-INITIO MOLECULAR CALCULATIONS
    NELANDER, B
    DELRE, G
    JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10): : 5225 - &
  • [35] FURTHER AB-INITIO CALCULATIONS ON ALLYL RADICAL
    HINCHLIF.A
    THEORETICA CHIMICA ACTA, 1972, 25 (02): : 138 - &
  • [36] AB-INITIO CALCULATIONS ON ONOOH AND ONOO-
    KOPPENOL, WH
    KLASINC, L
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, : 1 - 6
  • [37] AB-INITIO CALCULATIONS OF LATTICE-DYNAMICS
    SAVRASOV, SY
    MAKSIMOV, EG
    USPEKHI FIZICHESKIKH NAUK, 1995, 165 (07): : 773 - 797
  • [38] SOME AB-INITIO CALCULATIONS ON BORON NITRIDE
    MOFFAT, JB
    JOURNAL OF MOLECULAR STRUCTURE, 1973, 16 (02) : 307 - 309
  • [39] COMPARATIVE AB-INITIO CALCULATIONS ON SEVERAL SALTS
    BENRABAH, D
    ARNAUD, R
    SANCHEZ, JY
    ELECTROCHIMICA ACTA, 1995, 40 (13-14) : 2437 - 2443
  • [40] CONFIGURATION INTERACTION METHODS IN AB-INITIO CALCULATIONS
    SHAVITT, I
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1974, 19 (03): : 195 - 195