Volume 92, Issue 5 | Theoretical Chemistry Accounts

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Volume 92, Issue 5

November 1995

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5 articles in this issue

A MNDO study of carbon clusters with specifically fitted parameters
Shiuh-ping Tseng
Min-yi Shen
Chin-hui Yu
OriginalPaper Pages: 269 - 280
Why do the second row transition metal atoms prefer 5s¹4d^m+1 to 5s²4d^m?
Toshikatsu Koga
Hidenori Aoki
Hiroshi Tatewaki
OriginalPaper Pages: 281 - 295
Theoretical studies on the photochromic processes of 4-bromo-N-salicylideneaniline
Wei-Hai Fang
Xiao-Zeng You
Zhen Yin
OriginalPaper Pages: 297 - 303
An efficient improvement of the string-based direct selected CI algorithm
Àngels Povill
Jaime Rubio
OriginalPaper Pages: 305 - 313
N₂ activation by iron-sulfur complexes
Francisco B. C. Machado
Ernest R. Davidson
OriginalPaper Pages: 315 - 326