Molecular Dynamics Simulation Studies of Zeolite-A. IV. Structure and Dynamics of NH4+ ions in a Rigid Dehydrated Zeolite-A

被引：0
|
作者：
机构：
来源：
Sulf Lett | / 5卷 / 113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 45 条
  • [41] NH4+ Resides Inside the Water 20-mer Cage As Opposed to H3O+, Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study
    Willow, Soohaeng Yoo
    Singh, N. Jiten
    Kim, Kwang S.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (11) : 3461 - 3465
  • [42] Computational identification of potential dipeptidyl peptidase (DPP)-IV inhibitors: Structure based virtual screening, molecular dynamics simulation and knowledge based SAR studies
    Nath, Virendra
    Ramchandani, Manish
    Kumar, Neeraj
    Agrawal, Rohini
    Kumar, Vipin
    JOURNAL OF MOLECULAR STRUCTURE, 2021, 1224
  • [43] STRUCTURE AND STABILITY OF ZEOLITE OFFRETITE UNDER SI4+/(AL3+,M(+)) SUBSTITUTION (M=NA,K) - A FIRST PRINCIPLES MOLECULAR-DYNAMICS STUDY
    CAMPANA, L
    SELLONI, A
    WEBER, J
    GOURSOT, A
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (44): : 16351 - 16356
  • [44] Analysis of the Structure, Thermal, and Molecular Dynamics of Organic-Inorganic Hybrid Crystal at Phases IV, III, II, and I: [NH2(CH3)2]2CdBr4
    Kim, Sun Ha
    Joo, Yong Lak
    Lim, Ae Ran
    ACS OMEGA, 2023, 8 (37): : 34180 - 34187
  • [45] Molecular structure solvent-solute, electronic, topology and dynamics simulation studies on 2-[[1-(cyclopropyl methoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl] amino] acetic acid- an effective CKD drug
    Manikandan, P.
    Kumar, M.
    Chithra, S.
    Jeelani, A.
    Khaled, Jamal M.
    Abbas, Ghulam
    Muthu, S.
    JOURNAL OF MOLECULAR LIQUIDS, 2023, 391
12345