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Computer-assisted structure elucidation

Known as: Case, Computer assisted structure elucidation 
Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible molecular structures that are… Expand
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Computational chemistry

Papers overview

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2013
2013
Total synthesis, stereochemical elucidation and biological evaluation of Ac2SGL; a 1,3-methyl branched sulfoglycolipid from Mycobacterium tuberculosis
Mycobacterium tuberculosis, the causative agent of tuberculosis (TB), continues to represent a challenging pathogen causing many… Expand
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2009
2009
Knowledge criteria for organization design
Purpose – The purpose of this paper is to provide a conceptual and practical basis for developing new organization structures by… Expand
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2005
2005
L'enfance inadaptée ou la « part maudite » de l'École vaudoise
A partir des annees 70, pour repondre a l’ambition politique de sa « demo-cratisation » (faire reussir tout le monde), l’Ecole… Expand
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2004
2004
Modeling multiscale effects of light limitations and edge-induced mortality on carbon stores in forest landscapes
Analyses of carbon (C) dynamics at broad scales usually do not consider spatial interactions. The assumption is that C dynamics… Expand
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2001
2001
The new Wittgenstein: A critique
In recent years, a novel approach to the interpretation of Wittgenstein’s Tractatus has caught the imagination of a growing… Expand
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2001
2001
Natural products from around the world
The structures of a range of natural products from Africa, Nepal, and Chile will be discussed. 
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2000
2000
Thermodynamic properties of asphaltenes: a predictive approach based on computer assisted structure elucidation and atomistic simulations
Publisher Summary This chapter describes a new methodology used in the estimation of the thermodynamic properties of asphaltenes… Expand
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Highly Cited
1999
Highly Cited
1999
Solubilization and Encapsulation of Fullerenes by Amphiphilic Block Copolymers
Solubilization and encapsulation of fullerenes C60 and C70 by ultralarge hollow micelles formed by rod−coil diblock copolymers… Expand
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1994
1994
Efficient Application of 2D NMR Correlation Information in Computer-Assisted Structure Elucidation of Complex Natural Products
Efficiency is one of the essential problems concerning computer-assisted structure elucidation (CASE) systems if real-world… Expand
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Highly Cited
1986
Highly Cited
1986
Computer-assisted structure elucidation
Introduction An Example: Structural Analysis of Warburganal Historical Perspectives Spectrum Matching Approaches Pattern… Expand
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