MCSCF CALCULATIONS ON THE VIBRATIONAL PROPERTIES OF CN- ADSORBED ON PLATINUM

被引：15

作者：

FLAMENT, JP ^{[1
]}

TADJEDDINE, M ^{[1
]}

机构：

[1] ECOLE POLYTECH,DCMR,CNRS,URA 1307,F-91128 PALAISEAU,FRANCE

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 238卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(95)00358-4

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：

The electronic and vibrational properties of CN- adsorbed on Pt electrodes have been studied through MCSCF calculations on the molecular ions PtCN- and PtNC-. The results are in good agreement with experimental results obtained in situ by the non-linear optical technique of sum frequency generation.

引用

页码：193 / 198

页数：6

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