Boundary conditions applied to the divide and conquer method: Influence on quantum mechanic-based X-ray crystal structure refinement

被引:0
|
作者
Plumley, Joshua A. [1 ]
Westerhoff, Lance M. [1 ]
机构
[1] QuantumBio Inc, State Coll, PA 16801 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
298-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Molecular dynamics applied to X-ray structure refinement
    Brunger, AT
    Adams, PD
    ACCOUNTS OF CHEMICAL RESEARCH, 2002, 35 (06) : 404 - 412
  • [2] Quantum refinement of X-ray and neutron protein crystal structures
    Caldararu, Ocrdv
    Cao, Lili
    Manzoni, Francesco
    Oksanen, Esko
    Logan, Derek
    Ryde, Ulf
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018, 74 : E174 - E174
  • [3] X-RAY REFINEMENT OF CRYSTAL STRUCTURE OF COPPER(II) CHLORIDE DIHYDRATE
    ENGBERG, A
    ACTA CHEMICA SCANDINAVICA, 1970, 24 (10): : 3510 - &
  • [5] PROFILE-FITTING-STRUCTURE-REFINEMENT APPLIED WITH X-RAY POWDER DATA
    MACKIE, PE
    YOUNG, RA
    ACTA CRYSTALLOGRAPHICA SECTION A, 1975, 31 : S198 - S198
  • [6] Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite
    Ballirano, Paolo
    Celata, Beatrice
    Pacella, Alessandro
    Bosi, Ferdinando
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2021, 77 : 537 - 549
  • [7] X-ray diffraction refinement of the crystal structure of anosovite prepared from leucoxene
    Grass, V.
    Istomin, P.
    Nazarova, L.
    CRYSTAL RESEARCH AND TECHNOLOGY, 2009, 44 (01) : 117 - 122
  • [8] X-RAY REFINEMENT OF CRYSTAL-STRUCTURE OF LITHIUM AMMONIUM TARTRATE MONOHYDRATE
    HINAZUMI, H
    MITSUI, T
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1972, B 28 (NOV15): : 3299 - 3305
  • [9] CRYSTAL STRUCTURE OF THORIUM PERCHLORATE TETRAHYDRATE BY X-RAY METHOD
    MURTHY, PR
    PATEL, CC
    JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1963, 25 (03): : 310 - 312
  • [10] X-ray single crystal refinement of the Ho3Si4 structure
    Ijjaali, I
    Venturini, G
    Malaman, B
    JOURNAL OF ALLOYS AND COMPOUNDS, 1998, 269 (1-2) : L6 - L8