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Theoretical Studies of Photodynamic Therapy Properties of Azopyridine
δ
-OsCl
2
(Azpy)
2
Complex as a Photosensitizer by a TDDFT Method
(Articles)
Wawohinlin Patrice Ouattara
,
Kafoumba Bamba
,
Affi Sopi Thomas
,
Fatogoma Diarrassouba
,
Lamoussa Ouattara
,
Massapihanhoro Pierre Ouattara
,
Kouakou Nobel N'guessan
,
Mamadou Guy Richard Kone
,
Charles Guillaume Kodjo
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
,January 22, 2021
DOI:
10.4236/cc.2021.91004
54
Downloads
127
Views
Citations
Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]
3-
(M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study
(Articles)
Mohammad A. Matin
,
Md. Abdur Rahman
Advances in Chemical Engineering and Science
Vol.9 No.4
,October 9, 2019
DOI:
10.4236/aces.2019.94023
262
Downloads
527
Views
Citations
Success and Incoherence of Orthodox Quantum Mechanics
(Articles)
M. E. Burgos
Journal of Modern Physics
Vol.7 No.12
,August 22, 2016
DOI:
10.4236/jmp.2016.712132
1,646
Downloads
2,098
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
5,453
Downloads
14,945
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
3,105
Downloads
3,694
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
668
Downloads
1,006
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
479
Downloads
759
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
293
Downloads
564
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
2,381
Downloads
3,622
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
3,380
Downloads
7,047
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
3,394
Downloads
6,035
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
3,757
Downloads
6,813
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
3,727
Downloads
5,617
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
5,265
Downloads
7,182
Views
Citations
The Bowing Parameters of Ca
χ
Mg
1-χ
O Ternary Alloys
(Articles)
Sinem Erden Gulebaglan
,
Emel Kilit Dogan
,
Murat Aycibin
,
Mehmet Nurullah Secuk
,
Bahattin Erdinc
,
Harun Akkus
Journal of Modern Physics
Vol.5 No.15
,September 30, 2014
DOI:
10.4236/jmp.2014.515155
3,187
Downloads
3,693
Views
Citations
First-Principles Study on Cation-Antisite Defects of Stannate and Titanate Pyrochlores
(Articles)
Lianju Chen
,
Xue Su
,
Yuhong Li
Open Access Library Journal
Vol.1 No.3
,June 6, 2014
DOI:
10.4236/oalib.1100516
1,162
Downloads
1,625
Views
Citations
Simple Model of Transformation of a Crystal Structures
(Articles)
B. I. Lev
Journal of Modern Physics
Vol.7 No.16
,December 26, 2016
DOI:
10.4236/jmp.2016.716205
1,068
Downloads
1,424
Views
Citations
Electronic Properties of NbSe
2
over Graphene: A Meticulous Theoretical Analysis
(Articles)
Donald Homero Galvan
,
Joel Antúnez-García
,
Sergio Fuentes Moyado
Open Access Library Journal
Vol.4 No.5
,May 11, 2017
DOI:
10.4236/oalib.1103512
677
Downloads
1,037
Views
Citations
Accurate Electronic, Transport, and Related Properties of Wurtzite Beryllium Oxide (w-BeO)
(Articles)
Cheick Oumar Bamba
,
Richard Inakpenu
,
Yacouba I. Diakite
,
Lashounda Franklin
,
Yuriy Malozovsky
,
Anthony D. Stewart
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.12
,November 17, 2017
DOI:
10.4236/jmp.2017.812116
787
Downloads
1,217
Views
Citations
Conversion of 3,4-Dihydroxypyrrolidine-2,5-Dione to Maleimide through Tosylation and Mechanism Study by DFT
(Articles)
Maocai Yan
,
Zhen Zhang
,
Jinhui Zhou
,
Wei Li
,
Shuai Fan
,
Zhaoyong Yang
Computational Chemistry
Vol.6 No.3
,July 23, 2018
DOI:
10.4236/cc.2018.63004
739
Downloads
1,185
Views
Citations
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