Quantum Chemistry Calculations - Articles - Scientific Research Publishing

A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum (Articles)

Nicolay I. Dodoff

Computational Molecular Bioscience Vol.2 No.2, June 29, 2012

DOI: 10.4236/cmb.2012.22004 6,916 Downloads 17,581 Views Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters (Articles)

Mohamed Tabti, Adil Eddahbi, Said Ouaskit, Lahcen Elarroum

World Journal of Condensed Matter Physics Vol.2 No.3, August 31, 2012

DOI: 10.4236/wjcmp.2012.23023 4,075 Downloads 7,455 Views Citations
Synthesis, Structural Study and Spectroscopic Characterization of a Quinolin-8-Yloxy Derivative with Potential Biological Properties (Articles)

Elida Romano, María V. Castillo, Jorgelina L. Pergomet, Juan Zinczuk, Silvia A. Brandán

Open Journal of Synthesis Theory and Applications Vol.2 No.1, January 28, 2013

DOI: 10.4236/ojsta.2013.21002 5,092 Downloads 9,479 Views Citations
An Adjusted Model for Simple 1,2-Dyotropic Reactions. Ab Initio MO and VB Considerations (Articles)

Henk M. Buck

Open Journal of Physical Chemistry Vol.3 No.3, August 6, 2013

DOI: 10.4236/ojpc.2013.33015 3,329 Downloads 6,131 Views Citations
Construction of Periodic Solutions of One Class Nonautonomous Systems of Differential Equations (Articles)

Alexander N. Pchelintsev

Journal of Applied Mathematics and Physics Vol.1 No.3, August 23, 2013

DOI: 10.4236/jamp.2013.13001 4,058 Downloads 8,805 Views Citations
Estimation of the Temperature in the Weld Penetration Channel in Electron Beam Welding (Articles)

D. N. Trushnikov, E. S. Salomatova, V. Ya. Belenkiy

Journal of Power and Energy Engineering Vol.1 No.7, November 28, 2013

DOI: 10.4236/jpee.2013.17009 3,662 Downloads 6,133 Views Citations
Fine Structure Analysis of the Configuration System of V II. Part I: Even-Parity Levels (Articles)

Safa Bouazza, Richard A. Holt, David S. Rosner, Nathan M. R. Armstrong

Journal of Modern Physics Vol.5 No.7, April 29, 2014

DOI: 10.4236/jmp.2014.57061 2,556 Downloads 4,169 Views Citations
This article belongs to the Special Issue on Surface Physics
Fine Structure Analysis of the Configuration System of V II. Part II: Odd-Parity Levels (Articles)

Safa Bouazza, Richard A. Holt, David S. Rosner, Nathan M. R. Armstrong

Journal of Modern Physics Vol.5 No.7, April 29, 2014

DOI: 10.4236/jmp.2014.57062 2,497 Downloads 4,226 Views Citations
This article belongs to the Special Issue on Surface Physics
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 1,776 Downloads 3,188 Views Citations
This article belongs to the Special Issue on Density Functional Theory
Gas Phase Activation of Methane Molecule with Lead Benzene Dication Complex Ion, [Pb(Benzene)₂]²⁺ (Articles)

Joseph K. Koka

Materials Sciences and Applications Vol.10 No.2, January 29, 2019

DOI: 10.4236/msa.2019.102009 793 Downloads 1,657 Views Citations
A Thematic Analysis on Vedic Mathematics and Its Importance (Articles)

Sher Singh Raikhola, Dinesh Panthi, Eka Ratna Acharya, Kanhaiya Jha

Open Access Library Journal Vol.7 No.8, August 28, 2020

DOI: 10.4236/oalib.1106665 1,790 Downloads 9,971 Views Citations
Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study (Articles)

Mikhail Yu Gorbachev, Natalia N. Gorinchoy, Ion Arsene

International Journal of Organic Chemistry Vol.11 No.1, January 29, 2021

DOI: 10.4236/ijoc.2021.111001 718 Downloads 1,897 Views Citations
Multi-Energy Gamma-Ray Attenuations for Non-Destructive Detection of Hazardous Materials (Articles)

Kaylyn Olshanoski, Chary Rangacharyulu

Journal of Modern Physics Vol.13 No.1, January 26, 2022

DOI: 10.4236/jmp.2022.131005 322 Downloads 1,599 Views Citations
Molecular Orbital Nature of Solubility of Shot Chain n-Alkanes in Water and Their Reaction Rate Constants with Nitronium Cations: A DFT Study (Articles)

Mikhail Yu. Gorbachev, Natalia N. Gorinchoy

International Journal of Organic Chemistry Vol.12 No.2, June 9, 2022

DOI: 10.4236/ijoc.2022.122008 318 Downloads 1,238 Views Citations
Dating the Birth of Jesus Christ on Hanukkah (Articles)

Liberato De Caro, Fernando La Greca, Emilio Matricciani

Open Journal of Social Sciences Vol.10 No.10, September 26, 2022

DOI: 10.4236/jss.2022.1010020 393 Downloads 45,350 Views Citations
Electronic Aspects of the Synergistic Antioxidant Interaction of Various Pairs “Phenolic Food Acid and Glutathione” in Their Reactions with the Stable Radical Cation ABTS^+· (Articles)

Mikhail Yu. Gorbachev, Natalia N. Gorinchoy, Iolanta I. Balan

International Journal of Organic Chemistry Vol.13 No.3, September 26, 2023

DOI: 10.4236/ijoc.2023.133008 302 Downloads 1,130 Views Citations
Increasing the Contribution of Specially Protected Natural Areas to the Socio-Economic Development of Regions (Articles)

Shevchuk Anatoly Vasilyevich

Open Journal of Social Sciences Vol.13 No.5, May 30, 2025

DOI: 10.4236/jss.2025.135034 64 Downloads 392 Views Citations
Revisiting Characteristics of Ionic Liquids: A Review for Further Application Development (Articles)

Rusen Feng, Dongbin Zhao, Yongjun Guo

Journal of Environmental Protection Vol.1 No.2, June 29, 2010

DOI: 10.4236/jep.2010.12012 10,636 Downloads 23,297 Views Citations
The effects of science, technology, society, environment (STSE) interactions on teaching chemistry (Articles)

Nuray Yörük, Inci Morgil, Nilgün Seçken

Natural Science Vol.2 No.12, December 28, 2010

DOI: 10.4236/ns.2010.212173 13,922 Downloads 32,846 Views Citations
On the Origin of Biological Functions (Articles)

A. Umantsev

Journal of Modern Physics Vol.2 No.6A, June 23, 2011

DOI: 10.4236/jmp.2011.226070 4,079 Downloads 8,724 Views Citations
This article belongs to the Special Issue on Recent Advances in the Thermodynamics of Life and Evolution

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