Molecular modeling, ab initio methods and numerical integration

被引：0
|
作者：
Western Michigan University, Department of Computer Science, Kalamazoo, MI 49008, United States [1 ]
机构：
来源：
WSEAS Trans. Math. | 2007年 / 1卷 / 178-182期
关键词：
9;
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
  • [41] Ab initio modeling of superconducting alloys
    Ferreira, P. N.
    Lucrezi, R.
    Guilhon, I.
    Marques, M.
    Teles, L. K.
    Heil, C.
    Eleno, L. T. F.
    MATERIALS TODAY PHYSICS, 2024, 48
  • [42] Ab initio and constrained modeling of phosphorylase
    Durchschlag, Helmut
    Zipper, Peter
    Krebs, Angelika
    ANALYTICAL ULTRACENTRIFUGATION VIII, 2006, 131 : 55 - +
  • [43] Ab initio theory and modeling of water
    Chen, Mohan
    Ko, Hsin-Yu
    Remsing, Richard C.
    Andrade, Marcos F. Calegari
    Santra, Biswajit
    Sun, Zhaoru
    Selloni, Annabella
    Car, Roberto
    Klein, Michael L.
    Perdew, John P.
    Wu, Xifan
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2017, 114 (41) : 10846 - 10851
  • [44] Ab Initio Modeling of Organolithium Equilibria
    Streitwieser, Andrew
    Reyes, Julius R.
    Singhapricha, Terry
    Vu, Steven
    Shah, Ramesh
    JOURNAL OF ORGANIC CHEMISTRY, 2010, 75 (11): : 3821 - 3830
  • [45] Joint treatment of ab initio and experimental data on vibrational spectroscopy with stable numerical methods
    Kuramshina, GM
    SPECTROSCOPY OF BIOLOGICAL MOLECULES: MODERN TRENDS, 1997, : 571 - 572
  • [46] Ab initio molecular packing analysis
    Williams, DE
    ACTA CRYSTALLOGRAPHICA SECTION A, 1996, 52 : 326 - 328
  • [47] Ab initio quantum molecular dynamics
    Ben-Nun, M
    Martínez, TJ
    ADVANCES IN CHEMICAL PHYSICS, VOLUME 121, 2002, 121 : 439 - 512
  • [48] Ab initio molecular dynamics of retinals
    Bifone, A
    deGroot, HJM
    Buda, F
    CHEMICAL PHYSICS LETTERS, 1996, 248 (3-4) : 165 - 172
  • [49] AB INITIO COMPUTATION IN MOLECULAR PHYSICS
    CLEMENTI, E
    SIAM REVIEW, 1968, 10 (04) : 471 - &
  • [50] Ab initio molecular dynamics of rhodopsin
    Bifone, A
    deGroot, HJM
    Buda, F
    PURE AND APPLIED CHEMISTRY, 1997, 69 (10) : 2105 - 2110
12345