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Computational Chemistry Methods
Latest Publications
TOTAL DOCUMENTS
14
(FIVE YEARS 14)
H-INDEX
0
(FIVE YEARS 0)
Published By De Gruyter
9783110631623
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Latest Documents
Most Cited Documents
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4 Application of computational chemistry for adsorption studies on metal–organic frameworks used for carbon capture
Computational Chemistry Methods
◽
10.1515/9783110631623-004
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2020
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pp. 47-62
Keyword(s):
Computational Chemistry
◽
Carbon Capture
◽
Metal Organic Frameworks
◽
Adsorption Studies
◽
Metal Organic
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Preface
Computational Chemistry Methods
◽
10.1515/9783110631623-202
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2020
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pp. V-VI
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3 Phthalocyanines core-modified by P and S and their complexes with fullerene C60: DFT study
Computational Chemistry Methods
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10.1515/9783110631623-003
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2020
◽
pp. 25-46
Keyword(s):
Fullerene C60
◽
Dft Study
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1 Investigation of the aromaticity of mono, di, tri and tetraazaphenanthrene derivatives
Computational Chemistry Methods
◽
10.1515/9783110631623-001
◽
2020
◽
pp. 1-12
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Contents
Computational Chemistry Methods
◽
10.1515/9783110631623-toc
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2020
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pp. VII-X
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6 Computational prediction of toxicity of small organic molecules: state-of-the-art
Computational Chemistry Methods
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10.1515/9783110631623-006
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2020
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pp. 89-114
Keyword(s):
Organic Molecules
◽
State Of The Art
◽
Computational Prediction
◽
Small Organic Molecules
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5 Combined approach of homology modeling, molecular dynamics, and docking: computeraided drug discovery
Computational Chemistry Methods
◽
10.1515/9783110631623-005
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2020
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pp. 63-88
Keyword(s):
Molecular Dynamics
◽
Drug Discovery
◽
Homology Modeling
◽
Combined Approach
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Frontmatter
Computational Chemistry Methods
◽
10.1515/9783110631623-fm
◽
2020
◽
pp. I-IV
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Index
Computational Chemistry Methods
◽
10.1515/9783110631623-010
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2020
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pp. 179-182
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2 Conformations and interactions comparison between R- and S-methadone in wild type CYP2B6, 2D6 and 3A4
Computational Chemistry Methods
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10.1515/9783110631623-002
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2020
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pp. 13-24
Keyword(s):
Wild Type
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