DFT Calculation; Benzoate Anion; H-Atom Abstraction; OH Addition; Transition State Theory - Articles

Density Functional Theory Studies on the Addition and Abstraction Reactions of OH Radical with Benzoate Anion (Articles)

Nobuaki Tanaka, Shigeo Itoh

Open Journal of Physical Chemistry Vol.3 No.1，February 19, 2013

DOI: 10.4236/ojpc.2013.31002 6,021 Downloads 10,046 Views Citations
DFT Calculations on the Effect of Solvation on the Tautomeric Reactions for Wobble Gua-Thy and Canonical Gua-Cyt Base-Pairs (Articles)

Kazuya Nomura, Ryota Hoshino, Eisuke Shimizu, Yasuhiro Hoshiba, Victor I. Danilov, Noriyuki Kurita

Journal of Modern Physics Vol.4 No.3A，March 29, 2013

DOI: 10.4236/jmp.2013.43A059 4,731 Downloads 7,622 Views Citations
This article belongs to the Special Issue on Density Functional Theory
Attosecond-Scale Probing of the Electron Motion in the H-Atom Groundstate (Articles)

Gerald Rosen

Journal of Modern Physics Vol.3 No.12，December 14, 2012

DOI: 10.4236/jmp.2012.312230 3,883 Downloads 5,972 Views Citations
Molecular Modeling and Antimicrobial Screening Studies on Some 3-Aminopyridine Transition Metal Complexes (Articles)

Islam M. I. Moustafa, Naglaa M. Mohamed, Sahar M. Ibrahim

Open Journal of Inorganic Chemistry Vol.12 No.3，July 29, 2022

DOI: 10.4236/ojic.2022.123003 248 Downloads 1,140 Views Citations
A New and Original Method to Produce Ca(OH)₂ Nanoparticles by Using an Anion Exchange Resin (Articles)

Giuliana Taglieri, Valeria Daniele, Giovanni Del Re, Roberto Volpe

Advances in Nanoparticles Vol.4 No.2，April 2, 2015

DOI: 10.4236/anp.2015.42003 4,627 Downloads 6,818 Views Citations
The ANALGOR Online Inventory for Calibrating Analogical and Boolean Thinking in Normal Individuals (Articles)

Desmond D. Mascarenhas

Psychology Vol.10 No.9，July 11, 2019

DOI: 10.4236/psych.2019.109082 558 Downloads 1,273 Views Citations
This article belongs to the Special Issue on Developmental Psychology
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 712 Downloads 2,147 Views Citations
Rapid Transport of Biomolecules along Frictionless Wavy-Rough Interfaces (Articles)

Kwang-Hua Chu

Open Journal of Biophysics Vol.3 No.2，April 23, 2013

DOI: 10.4236/ojbiphy.2013.32016 3,881 Downloads 6,695 Views Citations
A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics (Articles)

Mohammad Alauddin, Mohammad Masud Parvez, Mohammad Abdul Matin

Computational Molecular Bioscience Vol.13 No.4，December 13, 2023

DOI: 10.4236/cmb.2023.134005 131 Downloads 577 Views Citations
Energy Shift of H-Atom Electrons Due to Gibbons-Hawking Thermal Bath (Articles)

Miroslav Pardy

Journal of High Energy Physics, Gravitation and Cosmology Vol.2 No.4，August 24, 2016

DOI: 10.4236/jhepgc.2016.24041 1,378 Downloads 2,161 Views Citations
Towards a Categorical Framework for Verifying Design and Implementation of Concurrent Systems (Articles)

Ming Zhu, Jing Li

Journal of Computer and Communications Vol.6 No.11，November 27, 2018

DOI: 10.4236/jcc.2018.611022 711 Downloads 1,312 Views Citations
Unplugged Teaching: Deepening Information Technology Learning (Articles)

Reuben Dlamini, Alton Dewa

Open Journal of Social Sciences Vol.10 No.4，April 29, 2022

DOI: 10.4236/jss.2022.104034 221 Downloads 865 Views Citations
Absolute Internal Energy of the Real Gas (Articles)

Albrecht Elsner

Engineering Vol.9 No.4，April 30, 2017

DOI: 10.4236/eng.2017.94020 1,840 Downloads 5,043 Views Citations
Synthesis of P(NIPAM-co-Am)/Mesoporous Silica Composites and Their Temperature- Responsive Anion Exchange (Articles)

Kenji Murakami, Yasuto Sato, Yukihiko Inoue

Journal of Materials Science and Chemical Engineering Vol.3 No.7，June 16, 2015

DOI: 10.4236/msce.2015.37002 3,526 Downloads 4,908 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 6,130 Downloads 16,377 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 3,467 Downloads 4,480 Views Citations
Review of Software Model-Checking Techniques for Dealing with Error Detection in Program Codes (Articles)

Ednah Olubunmi Aliyu

Journal of Software Engineering and Applications Vol.16 No.6，June 28, 2023

DOI: 10.4236/jsea.2023.166010 226 Downloads 1,038 Views Citations
Intelligent Transformation: General Intelligence Theory (Articles)

Alexander Ngu, Amaya Odilon Kosso

International Journal of Intelligence Science Vol.14 No.3，July 31, 2024

DOI: 10.4236/ijis.2024.143004 118 Downloads 672 Views Citations
Reliability Analysis of Wind Energy Generation System Using Stochastic Method (Articles)

Godwin Diamenu, Joseph Cudjoe Attachie, Christian Kwaku Amuzuvi

Journal of Power and Energy Engineering Vol.10 No.8，August 16, 2022

DOI: 10.4236/jpee.2022.108003 175 Downloads 889 Views Citations
On the Validity of Janak’s Theorem and Ground State Energies of Ensembles of Interacting Quantum N-Particle Systems (Articles)

Antonios Gonis

World Journal of Condensed Matter Physics Vol.4 No.2，May 13, 2014

DOI: 10.4236/wjcmp.2014.42012 5,464 Downloads 7,293 Views Citations

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