Functional Equivalence Theory - Articles - Scientific Research Publishing

Imaginary Time Density Functional Calculation of Ground States of Atoms Using CWDVR Approach (Articles)

Naranchimeg Davgiikhorol, Munkhsaikhan Gonchigsuren, Khenmedekh Lochin, Sukh Ochir, Tsogbadrakh Namsrai

Journal of Modern Physics Vol.10 No.9，August 6, 2019

DOI: 10.4236/jmp.2019.109073 814 Downloads 1,652 Views Citations
Computational Analysis of a Series of Chlorinated Chalcone Derivatives (Articles)

Bradley O. Ashburn

Computational Chemistry Vol.7 No.4，October 16, 2019

DOI: 10.4236/cc.2019.74008 822 Downloads 2,255 Views Citations
Inhibition Performance of Some Sulfonylurea on Copper Corrosion in Nitric Acid Solution Evaluated Theoretically by DFT Calculations (Articles)

Mougo André Tigori, Amadou Kouyaté, Victorien Kouakou, Paulin Marius Niamien, Albert Trokourey

Open Journal of Physical Chemistry Vol.10 No.3，August 3, 2020

DOI: 10.4236/ojpc.2020.103008 628 Downloads 1,589 Views Citations
Hydrogen Adsorption Mechanism of SiC Nanocones (Articles)

M. A. Al-Khateeb, A. A. El-Barbary

Graphene Vol.9 No.1，January 31, 2020

DOI: 10.4236/graphene.2020.91001 561 Downloads 1,524 Views Citations
Effect of Exchange-Correlation Functional on the Structural, Mechanical, and Optoelectronic Properties of Orthorhombic RbSrBr₃ Perovskite (Articles)

Fatema Najrin, Rabeya Bakar Sarna, Md. Alamin Sarker, Budrun Neher, Md. Mahbubur Rahman Bhuiyan, Farid Ahmed

Materials Sciences and Applications Vol.15 No.6，June 28, 2024

DOI: 10.4236/msa.2024.156010 88 Downloads 387 Views Citations
First-Principles Calculations on Novel Rb-Based Halide Double Perovskites Alloys for Spintronics and Optoelectronic Applications (Articles)

Saadi Berri, Nadir Bouarissa

Optics and Photonics Journal Vol.14 No.1，January 31, 2024

DOI: 10.4236/opj.2024.141001 119 Downloads 553 Views Citations
Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies (Articles)

Fritzgerald Kogge Bine, Stanley Numbonui Tasheh, Nyiang Kennet Nkungli

Computational Chemistry Vol.9 No.1，January 5, 2021

DOI: 10.4236/cc.2021.91003 526 Downloads 1,663 Views Citations
Method of Estimation of Chemical Compounds of a Solution by Analysis of Video Images of Titration from a Semi-Automatic Approach (Articles)

Marcelin Sandje, Sie Ouattara, Diako Doffou Jerome, Alain Clément

Open Journal of Applied Sciences Vol.12 No.6，June 30, 2022

DOI: 10.4236/ojapps.2022.126073 170 Downloads 1,505 Views Citations
Scalar Equivalence in Self-Rated Depressive Symptomatology as Measured by the Beck Depression Inventory-II: Do Racial and Gender Differences in College Students Exist? (Articles)

Lisa M. Hooper, Lixin Qu, Cindy A. Crusto, Lauren E. Huffman

Psychology Vol.3 No.9A，September 25, 2012

DOI: 10.4236/psych.2012.329116 6,644 Downloads 11,242 Views Citations
This article belongs to the Special Issue on Depression
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 1,788 Downloads 3,003 Views Citations
Behavioral-Cognitive Inhibition Theory: Conceptualization of Posttraumatic Stress Disorder and Other Psychopathology Disorders (Articles)

Nenad Paunovic

Psychology Vol.1 No.5，December 28, 2010

DOI: 10.4236/psych.2010.15044 10,731 Downloads 29,377 Views Citations
Structural and Electronic Properties of Bixo₃ (X = Mn, Fe, Cr) (Articles)

Djillali Bensaid, Nour-Eddine Benkhettou, Ali Kourdassi

Journal of Modern Physics Vol.2 No.7，July 11, 2011

DOI: 10.4236/jmp.2011.27075 8,173 Downloads 17,556 Views Citations
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 4,853 Downloads 8,107 Views Citations
A First Principles Investigation of the Mechanical Properties of g-TlN (Articles)

Qing Peng, Chao Liang, Wei Ji, Suvranu De

Modeling and Numerical Simulation of Material Science Vol.2 No.4，October 22, 2012

DOI: 10.4236/mnsms.2012.24009 5,785 Downloads 13,081 Views Citations
Dimensionality Effects in Dipolar Fluids: A Density Functional Theory Study (Articles)

Remi Geiger, Sabine H. L. Klapp

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

DOI: 10.4236/jmp.2013.43A056 4,265 Downloads 7,037 Views Citations
This article belongs to the Special Issue on Density Functional Theory
DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical (Articles)

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

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

DOI: 10.4236/jmp.2013.43A062 5,158 Downloads 8,933 Views Citations
This article belongs to the Special Issue on Density Functional Theory
Deficits in Magnocellular Pathway in Developmental Dyslexia: A Functional Magnetic Resonance Imaging-Electroencephalography Study (Articles)

Hisako Yamamoto, Yosuke Kita, Tomoka Kobayashi, Hiroko Yamazaki, Makiko Kaga, Hideki Hoshino, Takashi Hanakawa, Hitoshi Yamamoto, Masumi Inagaki

Journal of Behavioral and Brain Science Vol.3 No.2，May 22, 2013

DOI: 10.4236/jbbs.2013.32017 4,949 Downloads 8,087 Views Citations
Theoretical investigation of the dispersion interaction in argon dimer and trimer (Articles)

Abdullah H. Quasti, Walid I. Hassan

Journal of Biophysical Chemistry Vol.4 No.2，May 24, 2013

DOI: 10.4236/jbpc.2013.42013 4,620 Downloads 7,210 Views Citations
The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study (Articles)

Jair Gaviria, Claudia G. García, Ederley Vélez, Jairo Quijano

Modeling and Numerical Simulation of Material Science Vol.3 No.4，October 15, 2013

DOI: 10.4236/mnsms.2013.34021 5,778 Downloads 8,656 Views Citations
Two-water-assisted racemization of the succinimide intermediate formed in proteins. A computational model study (Articles)

Ohgi Takahashi

Health Vol.5 No.12，December 18, 2013

DOI: 10.4236/health.2013.512273 4,059 Downloads 5,915 Views Citations

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