Vibration spectra of molecules adsorbed on deformed metals

被引:0
作者
Kopylets', VI [1 ]
机构
[1] Ukrainian Acad Sci, Karpenko Physicomech Inst, Lviv, Ukraine
关键词
Hydrogen; Copper; Nickel; Sulfide; Structural Material;
D O I
10.1007/BF02355631
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A quantum-chemical cluster model for calculating the vibration spectra of water and hydrogen sulfide molecules adsorbed on nickel and copper is developed and substantiated. The effect of noticeable shifts of the major vibration peaks during deformation of metals is demonstrated.
引用
收藏
页码:406 / 409
页数:4
相关论文
共 8 条
[1]  
[Anonymous], VIBRATION SPECTRA CO
[2]  
BEZPERSTOV NN, 1989, ZH EKSP TEOR FIZ, V96, P1752
[3]  
Clark T. A., 1985, Handbook of Computational Chemistry
[4]  
EVARESTOV RA, 1982, METHODS QUANTUM CHEM
[5]  
KOPYLETS VI, 1989, FIZ KHIM MEKH MATER, V25, P24
[6]  
POKHMURSKYI VI, 1993, FIZ KHIM MEKH MATER, V29, P7
[7]   MOLECULAR-DYNAMICS SIMULATION OF MECHANICAL-BEHAVIOR [J].
SHCHUKIN, ED ;
YUSHCHENKO, VS .
JOURNAL OF MATERIALS SCIENCE, 1981, 16 (02) :313-330
[8]  
SHCHUKIN ED, 1966, FIZ KHIM MEKH MATER, V2, P133