Quantum-Chemical Calculations - Articles - Scientific Research Publishing

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 3,654 Downloads 6,103 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 2,549 Downloads 4,142 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 2,485 Downloads 4,189 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 1,764 Downloads 3,146 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 788 Downloads 1,635 Views Citations
Circular Scale of Time as a Guide for the Schrödinger Perturbation Process of a Quantum-Mechanical System (Articles)

Stanisław Olszewski

World Journal of Mechanics Vol.9 No.5, May 16, 2019

DOI: 10.4236/wjm.2019.95009 769 Downloads 1,944 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 1,783 Downloads 9,863 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 705 Downloads 1,852 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 319 Downloads 1,560 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 313 Downloads 1,214 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 391 Downloads 45,240 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 297 Downloads 1,105 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 60 Downloads 366 Views Citations
Interconversion between Planar-Triangle, Trigonal-Pyramid and Tetrahedral Configurations of Boron (B(OH)₃ -B(OH)₄^- ), Carbon (CH₃⁺ -CH₃X) and for the Group 15 Elements as Nitrogen (NH₃-NH₄⁺ ). A Modelling Description with Ab Initio Results and Pressure-Induced Experimental Evidence (Articles)

Henk M. Buck

Open Journal of Physical Chemistry Vol.5 No.1, January 20, 2015

DOI: 10.4236/ojpc.2015.51001 4,894 Downloads 6,510 Views Citations
A Study by Ab-Initio Calculation of Structural and Electronic Properties of Semiconductor Nanostructures Based on ZnSe (Articles)

A. Rachidi, E. H. Atmani, N. Fazouan, M. Boujnah

Materials Sciences and Applications Vol.7 No.9, September 29, 2016

DOI: 10.4236/msa.2016.79047 1,925 Downloads 4,611 Views Citations
This article belongs to the Special Issue on Advanced Functional Materials Research
Modified Atomic Orbital Calculations of Energy of the (2s² ¹S) Ground-State, the (2p² ¹D); (3d² ¹D) and (4f² ¹I) Doubly Excited States of Helium Isoelectronic Sequence from H^- to Ca¹⁸⁺ (Articles)

Malick Sow, Ibrahima Sakho, Boubacar Sow, Abdou Diouf, Youssou Gning, Babou Diop, Matabara Dieng, Abdourahmane Diallo, Mamadou Diouldé Ba, Jean Kouhissoré Badiane, Mamadi Biaye, Ahmadou Wagué

Journal of Applied Mathematics and Physics Vol.8 No.1, January 6, 2020

DOI: 10.4236/jamp.2020.81007 865 Downloads 2,097 Views Citations
Energy Positions of the ^1,3D^e Rydberg Series of the He-Like Ions Up to the N = 9 Threshold (Articles)

Matabara Dieng, Babou Diop, Malick Sow, Youssou Gning, Mamadi Biaye, Ababacar Sadikhe Ndao, Ahmadou Wagué

Journal of Applied Mathematics and Physics Vol.8 No.8, August 20, 2020

DOI: 10.4236/jamp.2020.88119 467 Downloads 1,298 Views Citations
Preclinical Verification of Modulated Electro-Hyperthermia
—Part I. In Vitro Research (Articles)

Andras Szasz

International Journal of Clinical Medicine Vol.15 No.7, July 29, 2024

DOI: 10.4236/ijcm.2024.157019 175 Downloads 827 Views Citations
Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylaminocyanobiphenyl (DMACB) by DFT and ab Initio HF Calculations (Articles)

Charef Tabti, Nadia Benhalima

Advances in Materials Physics and Chemistry Vol.5 No.7, July 22, 2015

DOI: 10.4236/ampc.2015.57023 5,704 Downloads 7,425 Views Citations
Volume, Side-Area, and Force Direction of Berkovich and Cubecorner Indenters, Novel Important Insights (Articles)

Gerd Kaupp

Advances in Materials Physics and Chemistry Vol.11 No.11, November 25, 2021

DOI: 10.4236/ampc.2021.1111019 346 Downloads 1,448 Views Citations

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