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Assemble 2.0: a structure generator

delete2000-05-01
delete28
PRE
AI
M
Martin Badertscher
A
Andrew I. Korytko
K
Klaus‐Peter Schulz
M
Mark S. Madison
M
Morton E. Munk
P
Pius Portmann
P
Patrick Fontana
E
Ernö Pretsch
DOI:10.1016/S0169-7439(00)00056-3delete
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摘要

摘要

En 中文
Assemble 2.0, a new structure generator with a user-friendly interface is presented. The pieces of structural information that can be input are reviewed and an example of the achievable results in a fully automatic mode of operation is given. The generated structures can be ranked automatically on the basis of their H-1 and/or C-13 NMR spectra. The program is available for Windows 95, Windows 98, and Windows NT. (C) 2000 Elsevier Science B.V. All rights reserved.
Keyword:
automatic structure generation
structure assembly
ranking
C-13 NMR
H-1 NMR
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期刊

Chemometrics and Intelligent Laboratory Systems 封面图
Chemometrics and Intelligent Laboratory Systems
IF:
3.8
论文数:
4.6K
被引数:
1.2W

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