Density Functional Theory DFT - Articles - Scientific Research Publishing

Influences of Modern Calculation Tools and Efficiency of Insurance Management in the Global Pandemic Period (Articles)

Ikboljon Odashev Mashrabjonovich

Modern Economy Vol.12 No.3, March 18, 2021

DOI: 10.4236/me.2021.123026 578 Downloads 1,491 Views Citations
The Quantum Chromodynamics Gas Density Drop and the General Theory of Relativity Ether (Articles)

Rami Rom

Journal of High Energy Physics, Gravitation and Cosmology Vol.9 No.2, April 7, 2023

DOI: 10.4236/jhepgc.2023.92032 224 Downloads 966 Views Citations
Theoretical Design of Complex Molecule via Combination of Natural Lawsone and Synthetic Indoline D131 Dyes for Dye Sensitized Solar Cells Application (Articles)

Nyanda Madili, Alexander Pogrebnoi, Tatiana Pogrebnaya

Computational Chemistry Vol.6 No.4, October 31, 2018

DOI: 10.4236/cc.2018.64007 1,065 Downloads 2,581 Views Citations
A Study of Heavy-Fermion Superconductors via BCS Equations Incorporating Chemical Potential (Articles)

G. P. Malik

Journal of Modern Physics Vol.6 No.9, August 10, 2015

DOI: 10.4236/jmp.2015.69128 4,313 Downloads 5,463 Views Citations
Improving Functional Characteristics of Wool and Some Synthetic Fibres (Articles)

O. G. Allam

Open Journal of Organic Polymer Materials Vol.1 No.1, October 25, 2011

DOI: 10.4236/ojopm.2011.11002 10,393 Downloads 23,605 Views Citations
Processing Treatments of Beniseed (Sesamum indicum Linn) on Nutrients, Anti-Nutrients Composition and Functional Properties of Flour (Articles)

Nwamaka A. Obeta, Chika E. Otuu, Fabian U. Ugwuona, Evangeline S. Peter

Food and Nutrition Sciences Vol.11 No.4, April 29, 2020

DOI: 10.4236/fns.2020.114023 930 Downloads 3,320 Views Citations
Generalized Demand Densities for Retail Price Investigation (Articles)

Philip Thomas, Alec Chrystal

American Journal of Industrial and Business Management Vol.3 No.3, June 27, 2013

DOI: 10.4236/ajibm.2013.33034 5,365 Downloads 7,928 Views Citations
Theoretical Study on the Self, Water-assisted and Au-to-assisted Dimer Proton Transfer Reaction in the N-Hydroxy-Methylen-Formamide (Articles)

Rezika Larabi, Yamina Belmiloud, Meziane Brahimi

Open Journal of Physical Chemistry Vol.1 No.2, August 25, 2011

DOI: 10.4236/ojpc.2011.12006 4,096 Downloads 9,555 Views Citations
Electronic and Structural Properties of Li₃AlP₂ and Li₃AlAs₂ from First Principles (Articles)

Mehrdad Dadsetani, Shirin Namjoo

Journal of Modern Physics Vol.2 No.9, September 16, 2011

DOI: 10.4236/jmp.2011.29110 4,694 Downloads 9,528 Views Citations
Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments (Articles)

Rolf Willestofte Berg, Irene Shim, Peter Cyril White, Salim Abdali

American Journal of Analytical Chemistry Vol.3 No.6, June 21, 2012

DOI: 10.4236/ajac.2012.36054 6,886 Downloads 11,889 Views Citations
Ab Initio Calculations Study of Structural and Electronic Properties of Ternary Alloy Al_xIn_1–xAs (Articles)

Mohammed Ameri, Fatima Boufadi, Amina Touia, Meriem Faudil, Djelloul Hachemane, Keltouma Boudia, Amel Slamani, Adjadj Aze-Eddine

Materials Sciences and Applications Vol.3 No.10, October 22, 2012

DOI: 10.4236/msa.2012.310099 6,449 Downloads 10,826 Views Citations
Interaction of Atoms with Grain Surfaces in Steel: Periodic Dependence of Binding Energy on Atomic Number and Influence on Wear Resistance (Articles)

Yuri F. Migal, Vladimir I. Kolesnikov, Vladimir N. Doronkin, Evgeni S. Novikov

Advances in Materials Physics and Chemistry Vol.2 No.4, December 28, 2012

DOI: 10.4236/ampc.2012.24030 6,090 Downloads 8,818 Views Citations
Nickel Decorated Single-Wall Carbon Nanotube as CO Sensor (Articles)

Ngangbam Bedamani Singh, Barnali Bhattacharya, Utpal Sarkar

Soft Nanoscience Letters Vol.3 No.4A, December 4, 2013

DOI: 10.4236/snl.2013.34A003 3,717 Downloads 6,198 Views Citations
This article belongs to the Special Issue on Indo-US International Workshop on Nanosensor Science & Technology
DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives (Articles)

Nuha Ahmed Wazzan, Fatma Mohamed Mahgoub

Open Journal of Physical Chemistry Vol.4 No.1, January 29, 2014

DOI: 10.4236/ojpc.2014.41002 6,472 Downloads 11,804 Views Citations
DFT Study of Poly Furfuryl Alcohol-Rhodamine B Blend (Articles)

Aqeel M. Ali, Ali H. Al-Mowali

Advances in Chemical Engineering and Science Vol.4 No.2, April 14, 2014

DOI: 10.4236/aces.2014.42019 5,510 Downloads 7,653 Views Citations
A Comparative Study on the Structural and Vibrational Properties of Two Potential Antimicrobial and Anticancer Cyanopyridine Derivatives (Articles)

María J. Márquez, María B. Márquez, Pablo G. Cataldo, Silvia A. Brandán

Open Journal of Synthesis Theory and Applications Vol.4 No.1, January 8, 2015

DOI: 10.4236/ojsta.2015.41001 4,526 Downloads 6,389 Views Citations
Spectroscopic Evaluation of the Molecular Structures of di-μ-Chlorobis(1,5-Cyclooctadiene) Iridium (I) and Rhodium (I) Complexes (Articles)

Saheed A. Popoola, Abdulaziz A. Al-Saadi

Journal of Applied Mathematics and Physics Vol.3 No.2, January 30, 2015

DOI: 10.4236/jamp.2015.32021 3,986 Downloads 5,404 Views Citations
Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory (Articles)

Jyothi Prashanth, Gaddam Ramesh, Jarupula Laxman Naik, Jai Kishan Ojha, Byru Venkatram Reddy, Gandham Ramana Rao

Optics and Photonics Journal Vol.5 No.3, March 25, 2015

DOI: 10.4236/opj.2015.53008 5,611 Downloads 8,444 Views Citations
This article belongs to the Special Issue on Laser Spectroscopy and Sensing
Synthesis, Crystal Structure and Infrared Characterization of Bis(4-dimethylamino-pyridinium) Tetrachlorocuprate (Articles)

Mahjouba Ben Nasr, Frédéric Lefebvre, Chérif Ben Nasr

American Journal of Analytical Chemistry Vol.6 No.5, April 13, 2015

DOI: 10.4236/ajac.2015.65044 5,032 Downloads 7,131 Views Citations
The Surface Reactivity of Pure and Monohydrogenated Nanocones Formed from Graphene Sheets (Articles)

Ahlam A. El-Barbary, Mohamed A. Kamel, Khaled M. Eid, Hayam O. Taha, Rasha A. Mohamed, Mohammed A. Al-Khateeb

Graphene Vol.4 No.4, September 9, 2015

DOI: 10.4236/graphene.2015.44008 3,845 Downloads 5,116 Views Citations

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