An Ab Initio Study of the Structure, Dissociation Energy, and Heat of Formation of Na2S

被引:0
|
作者
机构
来源
Int J Quant Chem | / 6卷 / 953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
  • [1] An ab initio study of the structure, dissociation energy, and heat of formation of Na2S
    Zhao, YF
    Gu, TK
    Pan, SF
    Sun, J
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 61 (06) : 953 - 957
  • [2] Investigations of the structure of Na2S + P2S5 glassy electrolytes and its impact on Na+ ionic conductivity through ab initio molecular dynamics
    Dive, A.
    Zhang, Ye
    Yao, Yan
    Martin, S. W.
    Banerjee, S.
    SOLID STATE IONICS, 2019, 338 : 177 - 184
  • [3] Band structure and vacancy formation in β-Ag2S: Ab-initio study
    Alekberov, Oktay
    Jahangirli, Zakir
    Paucar, Raul
    Huseynova, Suma
    Abdulzade, Nigar
    Nakhmedov, Anver
    Wakita, Kazuki
    Mamedov, Nazim
    PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 12, NO 6, 2015, 12 (06): : 672 - 675
  • [4] AN AB-INITIO STUDY OF THE STRUCTURE, VIBRATIONAL FREQUENCIES AND HEAT OF FORMATION OF ONCO RADICAL
    BENSON, BD
    FRANCISCO, JS
    CHEMICAL PHYSICS LETTERS, 1995, 233 (04) : 335 - 339
  • [5] An ab initio study of the potential energy surfaces for Na+I2 system
    Feng, DC
    Kang, CM
    Qi, CS
    Cai, ZT
    CHEMICAL PHYSICS LETTERS, 2002, 355 (3-4) : 285 - 288
  • [6] Ab initio study of the photochemical dissociation of methylamine
    Dunn, KM
    Morokuma, K
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (01): : 123 - 129
  • [7] On the formation of S2O at low energies: An ab initio study
    Navizet, Isabelle
    Komiha, Najia
    Linguerri, Roberto
    Chambaud, Gilberte
    Rosmus, Pavel
    CHEMICAL PHYSICS LETTERS, 2010, 500 (4-6) : 207 - 210
  • [8] SIH7+ - AN AB-INITIO STUDY OF THE STRUCTURE, VIBRATIONAL-SPECTRUM, AND DISSOCIATION-ENERGY
    LIU, RF
    ZHOU, XF
    JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (38): : 9555 - 9558
  • [9] Structure and stability of the hypervalent Na2CN molecule: An experimental and ab initio study
    Hashimoto, M
    Yokoyama, K
    Kudo, H
    Wu, CH
    Schleyer, PV
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (39): : 15770 - 15773