DFT Studies - Articles - Scientific Research Publishing

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 260 Downloads 1,037 Views Citations
Theoretical Study of Benzothiazole and Its Derivatives: Molecular Structure, Spectroscopic Properties, NBO, MEP and TD-DFT Analyses (Articles)

Konaté Abdoulaye, Bédé Affoué Lucie, Ouattara Lamoussa, Koné Soleymane, Bamba Kafoumba

Journal of Materials Science and Chemical Engineering Vol.12 No.3, March 29, 2024

DOI: 10.4236/msce.2024.123004 297 Downloads 1,564 Views Citations
Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing It in Practice (Articles)

Diola Bagayoko

Journal of Modern Physics Vol.7 No.9, May 26, 2016

DOI: 10.4236/jmp.2016.79083 2,440 Downloads 5,055 Views Citations
This article belongs to the Special Issue on Density Functional Theory Research
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 2,580 Views Citations
Gender Representation between Egypt and Japan: A Cross-Cultural Study of Gendered Representation (Articles)

Hebatalla Omar

Advances in Applied Sociology Vol.13 No.5, May 12, 2023

DOI: 10.4236/aasoci.2023.135023 473 Downloads 2,199 Views Citations
Analytical and Stability Studies on Medical Cosmetics (Articles)

Manal I. Eid, Mary E. K. Wahba

American Journal of Analytical Chemistry Vol.3 No.3, March 29, 2012

DOI: 10.4236/ajac.2012.33037 6,917 Downloads 12,201 Views Citations
Effect of Acid, Base and Time on Different Brands of Glimepiride (Articles)

Safila Naveed, Hina Qamar, Wardha Jawaid, Urooj Bokhari

Open Access Library Journal Vol.1 No.5, August 19, 2014

DOI: 10.4236/oalib.1100744 1,945 Downloads 3,332 Views Citations
Gene Action Studies in the Inheritance of Economic Traits in Diallel Cross of Lentil (Lens culinaris Medik) (Articles)

Fahim Abbas, Asim Riaz, Tanzeela Zafar, Muhammad Hassan, Hafiz Muhammad Imran Umar, Javed Hassan, Waseem Alam, Saleh Muhammad, Mudassir Mahmood, Hamza Sohail, Usman Ali Tiwana, Muhammad Tayyab Iqbal, Muhammad Bilal

American Journal of Plant Sciences Vol.7 No.6, April 14, 2016

DOI: 10.4236/ajps.2016.76069 2,409 Downloads 3,881 Views Citations
A Literature Review on the Definition and Process of Project-Based Learning and Other Relative Studies (Articles)

Xiaomei Du, Jie Han

Creative Education Vol.7 No.7, May 31, 2016

DOI: 10.4236/ce.2016.77112 11,979 Downloads 21,556 Views Citations
The Role of Geomorphological Studies in Development of Coastal Cities (Articles)

Maryam Valadkhani, Hamidreza Naderifar, Ardavan Behzad

Open Journal of Geology Vol.7 No.6, June 7, 2017

DOI: 10.4236/ojg.2017.76051 1,875 Downloads 5,124 Views Citations
Factors that Motivate Participation in Observational Genetic Cancer Research Studies (Articles)

Deborah Goodman, Catherine O. Johnson, Deborah Bowen, Lari Wenzel, Karen Edwards

Open Journal of Epidemiology Vol.9 No.2, May 27, 2019

DOI: 10.4236/ojepi.2019.92014 1,151 Downloads 2,248 Views Citations
Presence and Performance of Women in Higher Music Studies in Spain (Articles)

Miguel Ángel Jiménez-Pérez, Ana María Díaz-Olaya

Open Journal of Social Sciences Vol.9 No.5, May 25, 2021

DOI: 10.4236/jss.2021.95025 351 Downloads 1,368 Views Citations
Security and Strategic Studies: The Neglected Aspect of Securing Africa’s Future (Articles)

Katongole Badhul, Solomon Muchwa Asiimwe, John Paul Kasujja

Open Journal of Social Sciences Vol.13 No.10, October 20, 2025

DOI: 10.4236/jss.2025.1310021 31 Downloads 294 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 9,554 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 4,691 Downloads 9,525 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 11,888 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 6,446 Downloads 10,820 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
Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories (Articles)

Eduardo V. Ludeña, F. Javier Torres, Cesar Costa

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

DOI: 10.4236/jmp.2013.43A055 6,052 Downloads 10,901 Views Citations
This article belongs to the Special Issue on Density Functional Theory
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 6,193 Views Citations
This article belongs to the Special Issue on Indo-US International Workshop on Nanosensor Science & Technology

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