Linear and nonlinear polarizabilities of polydiacetylene and polybutatriene chains: an ab initio coupled Hartree-Fock investigation

被引：0
|
作者：
机构：
来源：
J Chem Phys | / 7卷 / 2463期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores
    Davut Avcı
    Hüseyin Cömert
    Yusuf Atalay
    Journal of Molecular Modeling, 2008, 14 : 161 - 169
  • [32] Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores
    Avci, Davut
    Comert, Hueseyin
    Atalay, Yusuf
    JOURNAL OF MOLECULAR MODELING, 2008, 14 (02) : 161 - 169
  • [33] Universal reaction field model based on ab initio Hartree-Fock theory
    Li, JB
    Hawkins, GD
    Cramer, CJ
    Truhlar, DG
    CHEMICAL PHYSICS LETTERS, 1998, 288 (2-4) : 293 - 298
  • [34] A Wannier-function-based ab initio Hartree-Fock study of polyethylene
    Shukla, A
    Dolg, M
    Stoll, H
    CHEMICAL PHYSICS LETTERS, 1998, 294 (1-3) : 126 - 134
  • [35] Ab initio periodic Hartree-Fock study of lizardite 1T
    Smrčok, Ľubomír
    Benco, Ľubomír
    American Mineralogist, 81 (11-12): : 1405 - 1412
  • [36] AB-INITIO HARTREE-FOCK CALCULATIONS OF THE INTERACTION ENERGY OF BIOMOLECULAR COMPLEXES
    PYE, CC
    POIRIER, RA
    YU, D
    SURJAN, PR
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 113 : 239 - 259
  • [37] Ab initio coupled Hartree-Fock investigation of the static first hyperpolarizability of model all-trans-polymethineimine oligomers of increasing size
    Champagne, B
    Jacquemin, D
    Andre, JM
    Kirtman, B
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (17): : 3158 - 3165
  • [38] AB-INITIO HARTREE-FOCK CALCULATIONS OF CAO, VO, MNO AND NIO
    MACKRODT, WC
    HARRISON, NM
    SAUNDERS, VR
    ALLAN, NL
    TOWLER, MD
    APRA, E
    DOVESI, R
    PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1993, 68 (04): : 653 - 666
  • [39] Ab initio Hartree-Fock study on surface desorption process in tritium release
    Taniguchi, M
    Tanaka, S
    JOURNAL OF NUCLEAR MATERIALS, 1998, 258 : 531 - 536
  • [40] Ab initio Hartree-Fock calculations of LaMnO3 (110) surfaces
    Evarestov, RA
    Kotomin, EA
    Heifets, E
    Maier, J
    Borstel, G
    SOLID STATE COMMUNICATIONS, 2003, 127 (05) : 367 - 371
12345