Ab initio calculations of the properties of simple alkali and alkaline earth organometallics

被引：0
|
作者：
机构：
来源：
J Molec Struct | / 2-3卷 / 107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] Ab initio calculations of the properties of simple alkali and alkaline earth organometallics
    Tyerman, SC
    Corlett, GK
    Ellis, AM
    Claxton, TA
    THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1996, 364 (2-3): : 107 - 119
  • [2] Ab initio calculations of cohesive and structural properties of the alkali-earth oxides
    Cortona, P
    Monteleone, AV
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (46) : 8983 - 8994
  • [3] Ion association of alkali and alkaline earth metal azides in dimethylsulfoxide.: Infrared spectrometry and ab initio calculations
    Le Borgne, C
    Illien, B
    Beignon, M
    Chabanel, M
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (20) : 4701 - 4706
  • [4] Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations
    Fedorov, Dmitry A.
    Barnes, Dustin K.
    Varganov, Sergey A.
    JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (12):
  • [5] Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition
    Lopez, Roberto
    Diaz, Natalia
    Suarez, Dimas
    CHEMPHYSCHEM, 2020, 21 (01) : 99 - 112
  • [6] Towards accurate ab initio calculations on the vibrational modes of the alkaline earth metal hydrides
    Hrenar, T
    Werner, HJ
    Rauhut, G
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2005, 7 (17) : 3123 - 3125
  • [7] Ab initio calculations of structural, electronic, optical and thermodynamic properties of alkaline earth tellurides BaxSr1-xTe
    Bahloul, B.
    Bentabet, A.
    Amirouche, L.
    Bouhadda, Y.
    Bounab, S.
    Deghfel, B.
    Fenineche, N.
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2014, 75 (03) : 307 - 314
  • [8] Ab Initio thermodynamic and elastic properties of alkaline-earth metals and their hydrides
    Hector, L. G., Jr.
    Herbst, J. F.
    Kresse, G.
    PHYSICAL REVIEW B, 2007, 76 (01):
  • [9] Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides
    Bala, Renu
    Nataraj, H. S.
    Nayak, Malaya K.
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2019, 52 (08)
  • [10] SIMPLE AB-INITIO METHOD OF CALCULATING COHESIVE PROPERTIES OF ALKALI METALS
    MODRAK, P
    ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1971, 30 (02): : 175 - &
12345