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Computational Chemistry
Submission
Computational Chemistry
ISSN Print:
2332-5968
ISSN Online:
2332-5984
www.scirp.net/journal/cc
E-mail:
[email protected]
Google-based Impact Factor:
0.82
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Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives
()
Yafigui Traore
,
Kafoumba Bamba
,
Nahossé Ziao
,
Sopi Thomas Affi
,
Mamadou Guy-Richard Kone
Computational Chemistry
Vol.5 No.3
, July 5, 2017
DOI:
10.4236/cc.2017.53008
1,513
Downloads
2,968
Views
Citations
This article belongs to the Special Issue on
Theoretical Investigation of the Newly Designed Benzimidazole Based Metal Mediated DNA Base Couples with DFT Method
()
Fatma Sevin
,
Mostafa Asghari Dilmani
,
Kübra Sarıkavak
,
Samira Farshbaf Jeddi
Computational Chemistry
Vol.5 No.2
, April 30, 2017
DOI:
10.4236/cc.2017.52007
1,640
Downloads
3,096
Views
Citations
This article belongs to the Special Issue on
Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation
()
Juan Frau
,
Daniel Glossman-Mitnik
Computational Chemistry
Vol.5 No.2
, April 28, 2017
DOI:
10.4236/cc.2017.52006
1,496
Downloads
2,960
Views
Citations
This article belongs to the Special Issue on
NBO Population Analysis and Electronic Calculation of Four Azopyridine Ruthenium Complexes by DFT Method
()
N’Guessan Kouakou Nobel
,
Kafoumba Bamba
,
Ouattara Wawohinlin Patrice
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.1
, January 19, 2017
DOI:
10.4236/cc.2017.51005
3,486
Downloads
7,501
Views
Citations
This article belongs to the Special Issue on
Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and
Ab Initio
HF/6-311++G Levels
()
Ouanlo Ouattara
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.1
, January 19, 2017
DOI:
10.4236/cc.2017.51004
2,180
Downloads
4,221
Views
Citations
This article belongs to the Special Issue on
A Theoretical Investigation of Gas Phase OH-Initiated Acenaphthylene Degradation Reaction
()
Xin Mao
,
Sufan Wang
,
Yucheng Huang
,
Tao Zhou
Computational Chemistry
Vol.5 No.1
, January 6, 2017
DOI:
10.4236/cc.2017.51003
2,197
Downloads
4,158
Views
Citations
This article belongs to the Special Issue on
DFT-Comparison of Anti-Cancer Effect of Ibuprofen Drug Anions and Breast Cancer Treatment by Ethanolic Solution of Nitrobenzaldehyde in Two Hours
()
Anwar El-Shahawy
Computational Chemistry
Vol.5 No.1
, December 15, 2016
DOI:
10.4236/cc.2017.51002
1,944
Downloads
4,350
Views
Citations
This article belongs to the Special Issue on
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