ON THE STABILITY OF XH3YH3 CHARGE-TRANSFER COMPLEXES (X=B, AL, GA, IN AND Y=N, OR P FOR X=B, AL) - AN AB-INITIO STUDY

被引:0
|
作者
JUNGWIRTH, P [1 ]
ZAHRADNIK, R [1 ]
机构
[1] ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, DOLEJSKOVA 3, CS-18223 PRAGUE 8, CZECHOSLOVAKIA
来源
关键词
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:317 / 320
页数:4
相关论文
共 50 条
  • [41] Adsorption of thiophene on the surfaces of X12Y12 (X = Al, B, and Y = N,P) nanoclusters; A DFT study
    Rad, Ali Shokuhi
    Ayub, Khurshid
    JOURNAL OF MOLECULAR LIQUIDS, 2017, 238 : 303 - 309
  • [42] H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH...YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation
    Udagawa, Taro
    Tachikawa, Masanori
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 36 (22) : 1647 - 1654
  • [43] The M(O2)X(YH3)3 dioxygen complexes (M = Rh, Co;: X = F, Cl, Br, I;: Y = N, P):: An ab initio, DFT and semiempirical PM3(tm) study
    Dobrowolski, JC
    Jamroz, MH
    Kazimirski, JK
    Bajdor, K
    Borowiak, MA
    Manna, L
    Miglietta, ML
    Aresta, M
    POLISH JOURNAL OF CHEMISTRY, 1998, 72 (10) : 2205 - 2217
  • [44] Ab initio valence bond study on AB-type molecules.: A description for XH (X = Li, Be, B, C, N, O, F) and XF (X = Li, Be, B)
    Liao, XL
    Mo, YR
    Wu, W
    Zhang, QE
    CHINESE JOURNAL OF CHEMISTRY, 2003, 21 (03) : 225 - 231
  • [45] Role of the terminal atoms in the donor-acceptor complexes MX3-D (M = Al, Ga, In; X = F, Cl, Br, I; D = YH3, YX3, X-; Y = N, P, As)
    Timoshkin, AY
    Suvorov, AV
    Bettinger, HF
    Schaefer, HF
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (24) : 5687 - 5699
  • [46] ELECTRONIC-STRUCTURE AND STABILITY OF CLOSO-HETEROBORANES, XYB(N)H(N), (N=3-5, X, Y=N, CH, P, AND SIH) - AN AB-INITIO MO STUDY
    JEMMIS, ED
    SUBRAMANIAN, G
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (37): : 9222 - 9226
  • [47] Ab-initio study of the structural, electronic, elastic and thermodynamic properties of Sc3XB (X=Sn, Al, Hf)
    Benamer, A.
    Medkour, Y.
    Essaoud, S. Saad
    Chaddadi, S.
    Roumili, A.
    SOLID STATE COMMUNICATIONS, 2021, 331
  • [48] Role of central core and methyl substitutions in XH4-x(CH3)x (X = N, P, As; x = 0–4) superalkalis: an ab initio study
    Harshita Srivastava
    Ambrish Kumar Srivastava
    Structural Chemistry, 2023, 34 : 617 - 623
  • [49] Ab Initio Study of Binary and Ternary Nb3(X,Y) A15 Intermetallic Phases (X,Y = Al, Ge, Si, Sn)
    Papadimitriou, Ioannis
    Utton, Claire
    Scott, Andrew
    Tsakiropoulos, Panos
    METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2015, 46A (02): : 566 - 576
  • [50] Ab Initio Study of Binary and Ternary Nb3(X,Y) A15 Intermetallic Phases (X,Y = Al, Ge, Si, Sn)
    Ioannis Papadimitriou
    Claire Utton
    Andrew Scott
    Panos Tsakiropoulos
    Metallurgical and Materials Transactions A, 2015, 46 : 566 - 576