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ISSN
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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
4,370
Views
Citations
Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing It in Practice
(Articles)
Diola Bagayoko
Journal of Modern Physics
Vol.7 No.9
,May 26, 2016
DOI:
10.4236/jmp.2016.79083
2,207
Downloads
4,218
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory Research
Quantification of Inositol Hexa-Kis Phosphate in Environmental Samples
(Articles)
Lynne P. Heighton
,
Merle Zimmerman
,
Clifford P. Rice
,
Eton E. Codling
,
John A. Tossell
,
Walter F. Schmidt
Open Journal of Soil Science
Vol.2 No.1
,March 28, 2012
DOI:
10.4236/ojss.2012.21009
4,686
Downloads
7,916
Views
Citations
Quantum Chemical Studies on the Corrosion Inhibition of Mild Steel by Piperidin-4-One Derivatives in 1 M H
3
PO
4
(Articles)
Kalaiselvi Kathirvel
,
Brindha Thirumalairaj
,
Mallika Jaganathan
Open Journal of Metal
Vol.4 No.4
,October 30, 2014
DOI:
10.4236/ojmetal.2014.44009
4,189
Downloads
6,271
Views
Citations
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
1,554
Downloads
2,538
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Elucidating the Chemisorption Phenomena in SERS Studies via Computational Modeling
(Articles)
Yvonne E. Ejorh
,
William H. Ilsley
,
Beng Guat Ooi
Optics and Photonics Journal
Vol.8 No.6
,June 27, 2018
DOI:
10.4236/opj.2018.86019
1,042
Downloads
2,790
Views
Citations
First Principle Study of the Structural and Piezoelectric Properties of Perovskite ZrTi(PbO
3
)
2
Materials for Naval SONAR
(Articles)
Owolabi Joshua Adeyemi
,
Gidado Mohammed Mawashi
,
Alhassan Shuaibu
,
Bamikole Johnson Akinade
,
Ugbe Raphael Ushiekpan
Journal of Applied Mathematics and Physics
Vol.7 No.2
,February 14, 2019
DOI:
10.4236/jamp.2019.72022
1,644
Downloads
3,246
Views
Citations
Surface Photografting of Novel Sulfobetaine Copolymers on Silica
(Articles)
Abhishek Kumar
,
Nazia Tarannum
,
Meenakshi Singh
Materials Sciences and Applications
Vol.3 No.7
,July 19, 2012
DOI:
10.4236/msa.2012.37066
4,748
Downloads
7,425
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
580
Downloads
1,881
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
339
Downloads
1,865
Views
Citations
Predictions of Electronic, Transport, and Structural Properties of Magnesium Sulfide (MgS) in the Rocksalt Structure
(Articles)
Uttam Bhandari
,
Cheick Oumar Bamba
,
Yuriy Malozovsky
,
La Shounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.9 No.9
,August 8, 2018
DOI:
10.4236/jmp.2018.99111
1,233
Downloads
2,590
Views
Citations
The Effective Chiral Model of Quantum Hadrodynamics Applied to Nuclear Matter and Neutron Stars
(Articles)
Hiroshi Uechi
Journal of Applied Mathematics and Physics
Vol.3 No.2
,January 30, 2015
DOI:
10.4236/jamp.2015.32017
4,744
Downloads
5,589
Views
Citations
Catechin and Epicatechin. What’s the More Reactive?
(Articles)
Essoh Akpa Eugène
,
N’guessan Boka Robert
,
Adenidji Ganiyou
,
Yapo Kicho Denis
,
Adjou Ané
,
Bamba El Hadji Sawaliho
Computational Chemistry
Vol.10 No.2
,March 11, 2022
DOI:
10.4236/cc.2022.102003
329
Downloads
2,176
Views
Citations
First Principles Investigation of the Structure and Properties of Superconducting Cubic Protactinium Hydride PaH
3
(Articles)
Tao Liu
,
Tao Gao
Journal of Applied Mathematics and Physics
Vol.11 No.4
,April 28, 2023
DOI:
10.4236/jamp.2023.114073
70
Downloads
242
Views
Citations
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses
(Articles)
Nyiang Kennet Nkungli
,
Julius Numbonui Ghogomu
,
Ludovid Ngouo Nogheu
,
Shridhar Ramachandra Gadre
Computational Chemistry
Vol.3 No.3
,October 28, 2015
DOI:
10.4236/cc.2015.33005
4,094
Downloads
6,510
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
2,215
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
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
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