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Theoretical investigation of the dispersion interaction in argon dimer and trimer
(Articles)
Abdullah H. Quasti
,
Walid I. Hassan
Journal of Biophysical Chemistry
Vol.4 No.2
,May 24, 2013
DOI:
10.4236/jbpc.2013.42013
4,512
Downloads
7,169
Views
Citations
Quantum-Chemical Estimating Interaction of
sp
2
-Carbon Nanoclusters with PE and PP Oligomers
(Articles)
Mykola Kartel
,
Euvgeniy Demianenko
,
Оksana Сherniuk
,
Mariya Terets
,
Yurii Sementsov
,
Bo Wang
Journal of Materials Science and Chemical Engineering
Vol.7 No.7
,July 10, 2019
DOI:
10.4236/msce.2019.77001
506
Downloads
1,122
Views
Citations
Water Molecules in the Carbon C60 Confined Space
(Articles)
M. Baskar
,
N. Sathyan
,
T. R. Gopalakrishnan Nair
Journal of Biophysical Chemistry
Vol.9 No.2
,May 31, 2018
DOI:
10.4236/jbpc.2018.92002
918
Downloads
2,117
Views
Citations
Chalcogen Bonds in Small-Organic Molecule Compounds Derived from the Cambridge Structural Database (CSD)
(Articles)
Albert S. Lundemba
,
Dikima D. Bibelayi
,
Philippe V. Tsalu
,
Peter A. Wood
,
Jason Cole
,
Jean S. Kayembe
,
Zephirin G. Yav
Crystal Structure Theory and Applications
Vol.10 No.4
,November 11, 2021
DOI:
10.4236/csta.2021.104005
353
Downloads
1,419
Views
Citations
A model study on the stacking interaction of phenanthroline ligand with nucleic acid base pairs: An ab initio, MP2 and DFT studies
(Articles)
Pankaj Hazarika
,
Bipul Bezbaruah
,
Pranjali Das
,
Okhil Kumar Medhi
,
Chitrani Medhi
Journal of Biophysical Chemistry
Vol.2 No.2
,June 2, 2011
DOI:
10.4236/jbpc.2011.22019
5,594
Downloads
11,207
Views
Citations
Modern Ab-Initio Calculations on Modified Tomas-Fermi-Dirac Theory
(Articles)
Sergey Seriy
Open Journal of Modelling and Simulation
Vol.3 No.3
,June 24, 2015
DOI:
10.4236/ojmsi.2015.33010
5,160
Downloads
6,999
Views
Citations
A Study by
Ab-Initio
Calculation of Structural and Electronic Properties of Semiconductor Nanostructures Based on ZnSe
(Articles)
A. Rachidi
,
E. H. Atmani
,
N. Fazouan
,
M. Boujnah
Materials Sciences and Applications
Vol.7 No.9
,September 29, 2016
DOI:
10.4236/msa.2016.79047
1,682
Downloads
3,682
Views
Citations
This article belongs to the Special Issue on
Advanced Functional Materials Research
Ab-Initio
Computations of Electronic, Transport, and Structural Properties of
zinc-blende
Beryllium Selenide (
zb
-BeSe)
(Articles)
Richard Inakpenu
,
Cheick Bamba
,
Ifeanyi H. Nwigboji
,
Lashounda Franklin
,
Yuriy Malozovsky
,
Guang-Lin Zhao
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.4
,March 20, 2017
DOI:
10.4236/jmp.2017.84037
1,549
Downloads
2,525
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Hydrogen Bonds of C=S, C=Se and C=Te with C-H in Small-Organic Molecule Compounds Derived from the Cambridge Structural Database (CSD)
(Articles)
Dikima D. Bibelayi
,
Albert S. Lundemba
,
Philippe V. Tsalu
,
Pitchouna I. Kilunga
,
Jules M. Tshishimbi
,
Zéphirin G. Yav
Crystal Structure Theory and Applications
Vol.11 No.1
,December 23, 2021
DOI:
10.4236/csta.2022.111001
497
Downloads
1,983
Views
Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters
(Articles)
Mohamed Tabti
,
Adil Eddahbi
,
Said Ouaskit
,
Lahcen Elarroum
World Journal of Condensed Matter Physics
Vol.2 No.3
,August 31, 2012
DOI:
10.4236/wjcmp.2012.23023
3,781
Downloads
6,912
Views
Citations
The Pursuit of Fallacy in Density Functional Theory: The Quest for Exchange and Correlation, the Rigorous Treatment of Exchange in the Kohn-Sham Formalism and the Continuing Search for Correlation
(Articles)
A. Gonis
World Journal of Condensed Matter Physics
Vol.4 No.3
,August 29, 2014
DOI:
10.4236/wjcmp.2014.43023
2,666
Downloads
4,456
Views
Citations
Redshift of Excitation Wavelength Caused by the Concentration of L-Tryptophan in Water: A Theoretical and Experimental Study
(Articles)
Diana Milena Uriza-Prias
,
Antonio Méndez-Blas
,
Juan Francisco Rivas-Silva
Open Journal of Physical Chemistry
Vol.11 No.2
,May 26, 2021
DOI:
10.4236/ojpc.2021.112005
338
Downloads
1,852
Views
Citations
First Principle Study of Cubic SrMO
3
Perovskites (M = Ti, Zr, Mo, Rh, Ru)
(Articles)
Avinash Daga
,
Smita Sharma
,
K. S. Sharma
Journal of Modern Physics
Vol.2 No.8
,August 31, 2011
DOI:
10.4236/jmp.2011.28095
8,309
Downloads
15,841
Views
Citations
Cell-PLoc 2.0: an improved package of web-servers for predicting subcellular localization of proteins in various organisms
(Articles)
Kuo-Chen Chou
,
Hong-Bin Shen
Natural Science
Vol.2 No.10
,October 29, 2010
DOI:
10.4236/ns.2010.210136
9,116
Downloads
20,461
Views
Citations
Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP
(Articles)
Josette Weinberg
,
Dan A. Lerner
Computational Chemistry
Vol.1 No.1
,October 29, 2013
DOI:
10.4236/cc.2013.11001
5,960
Downloads
16,234
Views
Citations
Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation
(Articles)
Dan A. Lerner
,
Constantin Balaceanu-Stolnici
,
Josette Weinberg
,
Luminita Patron
Computational Chemistry
Vol.3 No.1
,January 16, 2015
DOI:
10.4236/cc.2015.31003
3,381
Downloads
4,360
Views
Citations
Computational Analysis of Theacrine, a Purported Nootropic and Energy-Enhancing Nutritional Supplement
(Articles)
Bradley O. Ashburn
,
Diana J. Le
,
Corin K. Nishimura
Computational Chemistry
Vol.7 No.1
,December 28, 2018
DOI:
10.4236/cc.2019.71002
1,050
Downloads
2,206
Views
Citations
Study of the Reactivity of (100) Felodipine Surface Model Based on DFT Concepts
(Articles)
Carlos Tepech-Carrillo
,
Roxana Licona-Ibarra
,
J. Francisco Rivas-Silva
,
Antonio Flores-Riveros
Open Journal of Physical Chemistry
Vol.9 No.1
,February 15, 2019
DOI:
10.4236/ojpc.2019.91001
866
Downloads
1,872
Views
Citations
Calculation of the Nonlinear Susceptibility in van der Waals Crystals
(Articles)
Mingxi Chen
,
Chao Tang
,
Tadao Tanabe
,
Yutaka Oyama
Optics and Photonics Journal
Vol.9 No.11
,November 18, 2019
DOI:
10.4236/opj.2019.911016
629
Downloads
1,910
Views
Citations
A Quantum Chemical Screening of Two Imidazole-Chalcone Hybrid Ligands and Their Pd, Pt and Zn Complexes for Charge Transport and Nonlinear Optical (NLO) Properties: A DFT Study
(Articles)
Fritzgerald Kogge Bine
,
Numbonui Stanley Tasheh
,
Julius Numbonui Ghogomu
Computational Chemistry
Vol.9 No.4
,October 19, 2021
DOI:
10.4236/cc.2021.94012
236
Downloads
942
Views
Citations
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