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Dimensionality Effects in Dipolar Fluids: A Density Functional Theory Study
(Articles)
Remi Geiger
,
Sabine H. L. Klapp
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A056
4,189
Downloads
6,753
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies
(Articles)
Fritzgerald Kogge Bine
,
Stanley Numbonui Tasheh
,
Nyiang Kennet Nkungli
Computational Chemistry
Vol.9 No.1
,January 5, 2021
DOI:
10.4236/cc.2021.91003
420
Downloads
1,342
Views
Citations
Mathematical Modeling the Biology of Single Nucleotide Polymorphisms (SNPs) in Whole Genome Adaptation
(Articles)
James Lindesay
,
Tshela E. Mason
,
William Hercules
,
Georgia M. Dunston
Advances in Bioscience and Biotechnology
Vol.9 No.10
,October 22, 2018
DOI:
10.4236/abb.2018.910036
886
Downloads
1,749
Views
Citations
The Chiral Dirac-Hartree-Fock Approximation in QHD with Scalar Vertex Corrections
(Articles)
Hiroshi Uechi
Open Access Library Journal
Vol.5 No.7
,July 24, 2018
DOI:
10.4236/oalib.1104739
416
Downloads
1,051
Views
Citations
Variational Principle in the Quantum Statistical Theory
(Articles)
Eduard A. Arinshteyn
Journal of Modern Physics
Vol.5 No.14
,August 22, 2014
DOI:
10.4236/jmp.2014.514128
2,606
Downloads
3,549
Views
Citations
Matter-Antimatter Coexistence Method for Finite Density QCD toward a Solution of the Sign Problem
(Articles)
Hideo Suganuma
Journal of Modern Physics
Vol.8 No.12
,November 28, 2017
DOI:
10.4236/jmp.2017.812123
997
Downloads
1,633
Views
Citations
This article belongs to the Special Issue on
Computational Physics and Its Application
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
5,987
Downloads
16,055
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
3,393
Downloads
4,268
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
1,063
Downloads
2,112
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
887
Downloads
1,685
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
643
Downloads
1,856
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
249
Downloads
877
Views
Citations
Exchange-Correlation Functional Comparison of Electronic Energies in Atoms Using a Grid Basis
(Articles)
Anthony D. Ryan
,
Andres Gama
,
Frank Felerski
,
William D. Parker
Journal of Applied Mathematics and Physics
Vol.10 No.11
,November 29, 2022
DOI:
10.4236/jamp.2022.1011225
86
Downloads
568
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
2,681
Downloads
4,341
Views
Citations
Accurate Ground State Electronic and Related Properties of Hexagonal Boron Nitride (h-BN)
(Articles)
Y. Malozovsky
,
C. Bamba
,
A. Stewart
,
L. Franklin
,
D. Bagayoko
Journal of Modern Physics
Vol.11 No.6
,June 18, 2020
DOI:
10.4236/jmp.2020.116057
538
Downloads
1,607
Views
Citations
Sensitivity of the C-N Vibration to Solvation in Dicyanobenzenes: A DFT Study
(Articles)
Arianna Gladney
,
Changyong Qin
,
Helene Tamboue
Open Journal of Physical Chemistry
Vol.2 No.2
,May 22, 2012
DOI:
10.4236/ojpc.2012.22016
3,799
Downloads
7,846
Views
Citations
Phase Behavior of Sphere-Forming Triblock Copolymers in Films
(Articles)
Hong-Ge Tan
,
Qing-Gong Song
,
Xin-Huan Yang
,
Ya-Jing Deng
Open Journal of Applied Sciences
Vol.2 No.3
,September 28, 2012
DOI:
10.4236/ojapps.2012.23023
3,674
Downloads
6,521
Views
Citations
Electronic and Optical Properties of Rocksalt CdO: A first-Principles Density-Functional Theory Study
(Articles)
Gang Yao
,
Xinyou An
,
Hongwen Lei
,
Yajun Fu
,
Weidong Wu
Modeling and Numerical Simulation of Material Science
Vol.3 No.1B
,January 21, 2013
DOI:
10.4236/mnsms.2013.31B005
4,452
Downloads
8,028
Views
Citations
Physical Properties of CrSb/InP(001): Effect of Interface in Half-Metallic
(Articles)
Arash Boochani
,
Shahram Solymani
,
Sahar Rezaee
,
Negin Beryani Nezafat
,
Sara Fakhrai Tadayon
,
Amin Aminian
World Journal of Nano Science and Engineering
Vol.3 No.3
,September 5, 2013
DOI:
10.4236/wjnse.2013.33011
4,366
Downloads
6,468
Views
Citations
Comparison of Functionals for Metal Hexaboride Band Structure Calculations
(Articles)
Jose A. Alarco
,
Peter C. Talbot
,
Ian D. R. Mackinnon
Modeling and Numerical Simulation of Material Science
Vol.4 No.2
,March 28, 2014
DOI:
10.4236/mnsms.2014.42008
5,806
Downloads
8,200
Views
Citations
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