Solvent effects on 13C and 15N shielding tensors of nitroimidazoles in the condensed phase:: a sequential molecular dynamics/quantum mechanics study (vol 16, pg 6159, 2004)

被引:6
|
作者
Ramalho, TC
da Cunha, EFF
de Alencastro, RB
机构
关键词
D O I
10.1088/0953-8984/17/32/C01
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:4951 / 4951
页数:1
相关论文
共 6 条
  • [1] Solvent effects on 13C and 15N shielding tensors of nitroimidazoles in the condensed phase:: a sequential molecular dynamics/quantum mechanics study
    Ramalho, TC
    da Cunha, EFF
    de Alencastro, RB
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (34) : 6159 - 6170
  • [2] Structural and solvent effects on the 13C and 15N NMR chemical shifts of indoloquinoline alkaloids:: experimental and DFT study
    Tousek, Jaromir
    Van Miert, Sawne
    Pieters, Luc
    Van Baelen, Gitte
    Hostyn, Steven
    Maes, Bert U. W.
    Lemiere, Guy
    Dommisse, Roger
    Marek, Radek
    MAGNETIC RESONANCE IN CHEMISTRY, 2008, 46 (01) : 42 - 51
  • [3] Internal motion time scales of a small, highly stable and disulfide-rich protein: A 15N, 13C NMR and molecular dynamics study
    Marc Guenneugues
    Bernard Gilquin
    Nicolas Wolff
    André Ménez
    Sophie Zinn-Justin
    Journal of Biomolecular NMR, 1999, 14 : 47 - 66
  • [4] Influence of N-H...O and OH...O hydrogen bonds on the 17O, 15N and 13C chemical shielding tensors in crystalline acetaminophen:: A density functional theory study
    Esrafili, Mehdi D.
    Behzadi, Hadi
    Hadipour, Nasser L.
    BIOPHYSICAL CHEMISTRY, 2007, 128 (01) : 38 - 45
  • [5] Internal motion time scales of a small, highly stable and disulfide-rich protein:: A 15N, 13C NMR and molecular dynamics study
    Guenneugues, M
    Gilquin, B
    Wolff, N
    Ménez, A
    Zinn-Justin, S
    JOURNAL OF BIOMOLECULAR NMR, 1999, 14 (01) : 47 - 66
  • [6] High-resolution solid-state 13C and 15N NMR study on crystalline Leu- and Met-enkephalins:: Distinction of polymorphs.: Backbone dynamics, and local conformational rearrangements induced by dehydration or freezing of motions of bound solvent molecules
    Kamihira, M
    Naito, A
    Nishimura, K
    Tuzi, S
    Saito, H
    JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (15): : 2826 - 2834