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Volume 14; Issue 3
Main
Journal of Molecular Modeling
Volume 14; Issue 3
Journal of Molecular Modeling
Volume 14; Issue 3
1
DFT tests for group 8 transition metal carbonyl complexes
Pipsa Hirva
,
Matti Haukka
,
Minna Jakonen
,
M. Andreina Moreno
Journal:
Journal of Molecular Modeling
Year:
2008
Language:
english
File:
PDF, 782 KB
Your tags:
english, 2008
2
Computer analyses of new numerical methods for the description of adsorption process and the reliability of identification of microporous structure parameters
Mirosław Kwiatkowski
Journal:
Journal of Molecular Modeling
Year:
2008
Language:
english
File:
PDF, 2.53 MB
Your tags:
english, 2008
3
Electrostatic interactions play an essential role in DNA repair and cold-adaptation of Uracil DNA glycosylase
Magne Olufsen
,
Arne O. Smalås
,
Bjørn O. Brandsdal
Journal:
Journal of Molecular Modeling
Year:
2008
Language:
english
File:
PDF, 540 KB
Your tags:
english, 2008
4
Design of Benzene-1,2-diamines as selective inducible nitric oxide synthase inhibitors: a combined de novo design and docking analysis
Sandrea M. Francis
,
Amit Mittal
,
Manishika Sharma
,
Prasad V. Bharatam
Journal:
Journal of Molecular Modeling
Year:
2008
Language:
english
File:
PDF, 315 KB
Your tags:
english, 2008
5
Molecular dynamics simulation of hydrated Nafion with a reactive force field for water
Detlef W. M. Hofmann
,
Liudmila Kuleshova
,
Bruno D’Aguanno
Journal:
Journal of Molecular Modeling
Year:
2008
Language:
english
File:
PDF, 617 KB
Your tags:
english, 2008
6
Theoretical investigation of direct amination of β-ketoesters catalyzed by copper(II)-bisoxazoline(BOX)
Youqing Yu
,
Wei Shen
,
Jinsheng Zhang
,
Rongxing He
,
Ming Li
Journal:
Journal of Molecular Modeling
Year:
2008
Language:
english
File:
PDF, 664 KB
Your tags:
english, 2008
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