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   5,424 Downloads  14,888 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   3,096 Downloads  3,677 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   1,844 Downloads  2,718 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   4,358 Downloads  7,089 Views  Citations

Quantum Chemical Studies on the Corrosion Inhibition of Mild Steel by Piperidin-4-One Derivatives in 1 M H₃PO₄ (Articles)

Kalaiselvi Kathirvel, Brindha Thirumalairaj, Mallika Jaganathan

Open Journal of Metal Vol.4 No.4，October 30, 2014

DOI: 10.4236/ojmetal.2014.44009   3,782 Downloads  4,942 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   1,263 Downloads  1,722 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   664 Downloads  1,454 Views  Citations

First Principle Study of the Structural and Piezoelectric Properties of Perovskite ZrTi(PbO₃)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   674 Downloads  978 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   4,254 Downloads  6,406 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   245 Downloads  497 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   782 Downloads  1,211 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   4,408 Downloads  4,804 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   638 Downloads  967 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   468 Downloads  727 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   270 Downloads  521 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   2,372 Downloads  3,582 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   3,370 Downloads  7,026 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   3,387 Downloads  6,023 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   3,745 Downloads  6,786 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   3,711 Downloads  5,600 Views  Citations