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Modeling of the Chemico-Physical Process of Protonation of Molecules Entailing Some Quantum Chemical Descriptors
(Articles)
Sandip K. Rajak
,
Nazmul Islam
,
Dulal C. Ghosh
Journal of Quantum Information Science
Vol.1 No.2
,September 30, 2011
DOI:
10.4236/jqis.2011.12012
5,035
Downloads
10,375
Views
Citations
Investigation of the Antioxidant and UV Absorption Properties of 2-(2’-hydroxy-5’-methylphenyl)-benzotriazole and Its Ortho-Substituted Derivatives via DFT/TD-DFT
(Articles)
Numbonui Stanley Tasheh
,
Aymard Didier Tamafo Fouegue
,
Julius Numbonui Ghogomu
Computational Chemistry
Vol.9 No.3
,July 14, 2021
DOI:
10.4236/cc.2021.93010
254
Downloads
1,459
Views
Citations
Protonation Sites in Benzimidazolyl-Chalcones Molecules: An ab Initio and DFT Investigation
(Articles)
Mamadou Guy-Richard Kone
,
Sopi Thomas Affi
,
Nahossé Ziao
,
Kafoumba Bamba
,
Edja Florentin Assanvo
Computational Chemistry
Vol.4 No.3
,June 2, 2016
DOI:
10.4236/cc.2016.43006
1,719
Downloads
2,756
Views
Citations
Chemical Affinity and the Density of Energy Levels
(Articles)
M. B. Saikhanov
Journal of Modern Physics
Vol.6 No.11
,September 11, 2015
DOI:
10.4236/jmp.2015.611149
3,445
Downloads
4,152
Views
Citations
This article belongs to the Special Issue on
High Energy Physics
A Density Functional Theory Study of Methoxy and Atomic Hydrogen Chemisorption on Au(100) Surface
(Articles)
M. N’dollo
,
P. S. Moussounda
,
T. Dintzer
,
F. Garin
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A057
5,607
Downloads
9,313
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
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
5,972
Downloads
16,260
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
3,385
Downloads
4,369
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
1,051
Downloads
2,214
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
868
Downloads
1,879
Views
Citations
Quantitative Evaluation of Fat Composition in Lumbar Vertebral Body and Paraspinal Muscle by Proton Density Fat Fraction with MRI
(Articles)
Yuji Kasukawa
,
Michio Hongo
,
Toshihito Ebina
,
Taishi Chiba
,
Daisuke Kudo
,
Ryota Kimura
,
Yoichi Shimada
,
Naohisa Miyakoshi
Open Journal of Orthopedics
Vol.12 No.3
,March 11, 2022
DOI:
10.4236/ojo.2022.123010
193
Downloads
783
Views
Citations
Dependence of the Yield of Alfalfa on Plant Density and Diet
(Articles)
Alizade Alibala
,
Zamanov Pasha
,
Zamanova Azada
,
Iskenderov Subaxat
American Journal of Plant Sciences
Vol.8 No.11
,October 20, 2017
DOI:
10.4236/ajps.2017.811183
751
Downloads
1,502
Views
Citations
Statistical Analysis on Gender Difference in Neural Activity for Spatial Ability Tasks
(Articles)
Sung-Ho Kim
,
Namgil Lee
,
Chang-Hyun Park
Open Journal of Biophysics
Vol.13 No.1
,November 10, 2022
DOI:
10.4236/ojbiphy.2023.131002
123
Downloads
744
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
632
Downloads
1,922
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
239
Downloads
952
Views
Citations
Adaptability of High-Yielding Rice Cultivars in Relation to Biomass Productivity under Moderately Water Stressed Upland Conditions
(Articles)
Tomohiro Hyoda
,
Koki Homma
,
Tatsuhiko Shiraiwa
,
Keisuke Katsura
,
Takeshi Horie
Agricultural Sciences
Vol.6 No.3
,March 20, 2015
DOI:
10.4236/as.2015.63036
3,709
Downloads
5,016
Views
Citations
Functionals and Functional Derivatives of Wave Functions and Densities
(Articles)
A. Gonis
World Journal of Condensed Matter Physics
Vol.4 No.3
,August 29, 2014
DOI:
10.4236/wjcmp.2014.43022
4,125
Downloads
7,306
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
520
Downloads
1,734
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
2,670
Downloads
4,463
Views
Citations
On the Ratios Dark Matter (Energy)/Ordinary Matter ≈ 5.4(13.6) in the Universe
(Articles)
F. C. Hoh
Journal of Modern Physics
Vol.11 No.7
,June 30, 2020
DOI:
10.4236/jmp.2020.117060
454
Downloads
1,874
Views
Citations
This article belongs to the Special Issue on
Astrophysics, Cosmology and Gravitation
Studies of the Chemical Reactivity of a Series of Rhodanine Derivatives by Approaches to Quantum Chemistry
(Articles)
Wacothon Karime Coulibaly
,
Jean Stéphane N’dri
,
Mamadou Guy-Richard Koné
,
Camille Déliko Dago
,
Christelle N’ta Ambeu
,
Jean-Pierre Bazureau
,
Nahossé Ziao
Computational Molecular Bioscience
Vol.9 No.3
,August 9, 2019
DOI:
10.4236/cmb.2019.93005
896
Downloads
2,114
Views
Citations
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