ScH+和ScH2+分子离子的结构与势能函数
[1] Spassov T,Solsona P.Optimisation of the ball-milling and heat treatment parameters for synthesis of amorphous and nanocrystalline Mg2 Ni-bassed alloys[J].J.Alloys Compd.,2003,349 (1-2):242
[2] Varin R A,Czujko T.Nanocrystalline powerers of Mg-Ni-bassed light alloys for hydrogen storage processed by controlled mechanical milling[C].Canada:Montreal,QC,Aug.11-14,2002.
[3] Bobet J,Grigorova E.Hydrogen sorption properties of the nanocompoites Mg-Mg2Ni1-xFex[J].J.Alloys Compd.,2002,345 (1-2):280
[4] . Preparation of Mg2Ni intermetallic compound from nanoparticles[J]. Scripta Materialia, 2003, 49(6): 195.
[5] Daikuhara Y,Mi Y T,Uchida H,et al.Hydrogen absorption of nanostructural Mg2Ni alloy prepared by mechanical grinding[J].Journal of Advanced Science,2002,14 (1-2):55
[6] . Electronic structures of the dispositive transition metal hydrides ScH2+,TiH2+,VH2+,CrH2+,and MnH2+[J]. Mol.Phys., 1999, 96(1): 31.
[7] . A comprehensive theoretical study on the reacyions of Sc+ with CnH2n+2(n=1~3),structure mechanism,and potential energy surface[J]. Chemstry-A European Journal, 2003, 9(2): 484.
[8] . Matrix inflared spectra and DFT calculations of the reactive MSx(x=1,2,and 3),(H2) MH2,MH2+,and MH4-(M=Sc,Y,and La) species[J]. J.Phys.Chem.A, 2002, 106(40): 9213.
[9] A1eksanyan A G,Dolukhanyan S K,Scekhtman V S.The thermal radiation processes in the Sc-H system[J].J.Alloys Compd.,2003,356-357:562
[10] . First-princi-pies study of the stability and electronic structure of metal hydrides[J]. Phys.Rev.B, 2002, 66(14): 144107-1.
[11] Ran M,Zhu Z H,Jiang G,et al.Molecular potential energy function and reaction dynamics for LaH2 (C2v,X2A1)[J].J.Mol.Struct.2000,553:281
[12] Zhu Z H.Atomic and molecular reaction statics[M].Beijing:Science Press,1996 (in Chinese)
[13] . Ab initio calculations on first row transition metal hydrides TMHn+ and helides TMHe(n+1)+(TM=Sc-Cu,n=0~2)[J]. Phys.Chem.Chem.Phys., 2003, 5(2): 252.
[14] Murrell J N,Carter S,Frantos S C,et al.Molecular potential energy function[M].New York:Wiley,1984.
[15] Zhu Z H,Yu H G.Molecular structure and molecular potential energy function[M].Beijing:Science Press,1997 (in Chinese)
[16] Zhu Z H,Yu H G.Molecular structure and molecular potential energy function[M].Beijing:Science Press,1997 (in Chinese)
[17] Moore C E.Atomic energy levels[M].Washington,D.C.:U.S.Government Printing Office.1971.
[18] Pan D A,Zhao C D,Dai Z X.Material structure[M].Beijing:Higher Education Press,2001 (in Chinese)
娄珀瑜, 黄萍, 罗凤秀, 冉鸣. ScH+和ScH2+分子离子的结构与势能函数[J]. 原子与分子物理学报, 2008, 25(2): 417. 娄珀瑜, 黄萍, 罗凤秀, 冉鸣. Structures and potential energy function of ScH+ and ScH2+ molecule ions[J]. Journal of Atomic and Molecular Physics, 2008, 25(2): 417.
PDF全文
