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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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Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes
()
Shruti Sharma
,
Mrinal J Bezbaruah
,
Ibrahim Ali
,
Mahasweta Choudhury
,
Bipul Bezbaruah
Computational Chemistry
Vol.6 No.2
, April 30, 2018
DOI:
10.4236/cc.2018.62002
1,441
Downloads
4,659
Views
Citations
This article belongs to the Special Issue on
Quantum Chemical Studies of Some Hydrazone Derivatives
()
Mahougbe T. A. Kpota Houngue
,
Maurice N’bouke
,
Bardieu Atchade
,
Rodrigue Chabi Doco
,
Urbain A. Kuevi
,
Gaston A. Kpotin
,
Salomé D. S. Kpoviessi
,
Yacole G. S. Atohoun
,
Michael Badawi
,
Jean-Baptiste Mensah
Computational Chemistry
Vol.6 No.1
, February 28, 2018
DOI:
10.4236/cc.2018.61001
1,160
Downloads
3,022
Views
Citations
This article belongs to the Special Issue on
First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube
()
Wenyu Wang
,
Jiangang Xu
,
Yunguang Zhang
,
Guixia Li
Computational Chemistry
Vol.5 No.4
, October 27, 2017
DOI:
10.4236/cc.2017.54013
1,876
Downloads
4,407
Views
Citations
This article belongs to the Special Issue on
Structural and Spectral (IR, NMR and UV/Visible) Properties of Newly Designed Boronic Acid Derivatives Containing DO3A Sensitive to Uranyl Ion: A DFT and TD-DFT Study
()
Kübra Sarikavak
,
Fatma Sevin
Computational Chemistry
Vol.5 No.4
, October 16, 2017
DOI:
10.4236/cc.2017.54012
1,615
Downloads
3,609
Views
Citations
This article belongs to the Special Issue on
A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile
()
Durai Sakthi
,
Madhu Prakasam
,
Annamalai Prakasam
,
Santhanam Sivakumar
,
Ponnusamy Munusamy Anbarasan
Computational Chemistry
Vol.5 No.3
, July 27, 2017
DOI:
10.4236/cc.2017.53011
1,423
Downloads
4,098
Views
Citations
This article belongs to the Special Issue on
Theoretical Study of the Reaction of (2, 2)-Dichloro (Ethyl) Arylphosphine with Bis (2, 2)-Dichloro (Ethyl) Arylphosphine by Hydrophosphination Regioselective by the DFT Method
()
Kouadio Valery Bohoussou
,
Anoubilé Benié
,
Mamadou Guy-Richard Koné
,
Affi Baudelaire Kakou
,
Kafoumba Bamba
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.3
, July 27, 2017
DOI:
10.4236/cc.2017.53010
1,094
Downloads
2,479
Views
Citations
This article belongs to the Special Issue on
ONIOM Method Characterization of Hydrogen Bonding Sites of Mycolactone A/B, a Buruli Ulcer Toxin
()
Kadjo François Kassi
,
Mamadou Guy-Richard Koné
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.3
, July 11, 2017
DOI:
10.4236/cc.2017.53009
1,264
Downloads
2,715
Views
Citations
This article belongs to the Special Issue on
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