Search Result "GGA"
Electronic Structure of the Half-Heusler ScAuSn, LuAuSn and their Superlattice: A Comparative GGA, mBJ and GGA+SOC Study
Ebook: Advanced Materials and Nano Systems: Theory and Experiment - Part 2
Volume: 2 Year: 2022
Author(s):
Doi: 10.2174/9789815049961122020007
HSP-Dependent Protection Against Gastrointestinal Diseases
Journal: Current Pharmaceutical Design
Volume: 16 Issue: 1 Year: 2010 Page: 1190-1196
Author(s): Tohru Mizushima
Magnetism in CdV2O4 from First Principles
Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 485-492
Author(s): Yu-Hua Zhang,Jian Meng,Carlton A. Taft
First Principle Study of Oxygen Diffusion on Uranium Nitride UN (001) Surface with Uranium or Nitrogen Vacancies
Journal: Micro and Nanosystems
Volume: 7 Issue: 2 Year: 2015 Page: 124-130
Author(s): T. Zergoug,S.E.H. Abaidia,A. Nedjar
Recent Developments on the Studies of Human Memapsin 2 (β-Secretase)
Journal: Current Alzheimer Research
Volume: 2 Issue: 2 Year: 2005 Page: 261-264
Author(s): Jordan Tang, Xiangyang He, Xianping Huang, Lin Hong
The Essence of Density Functional Theory
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010003
Current State-of-the-art for Quantum Mechanics-based Methods in Drug Design
Ebook: New Developments in Medicinal Chemistry
Volume: 1 Year: 2010
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/978160805127411001010001
Molecular Clusters and Hydrogen Storage by Clusters of Alkaline Earth Metal Oxides
Ebook: DFT-Based Studies On Atomic Clusters
Volume: 1 Year: 2024
Author(s): Ambrish Kumar Srivastava
Doi: 10.2174/9789815274042124010008
Electronic and Thermoelectric Properties of SrTiO3
Journal: Current Smart Materials (Discontinued)
Volume: 2 Issue: 1 Year: 2017 Page: 73-79
Author(s): Kaliaperumal Shanmugapriya,Balan Palanivel,Ramaswamy Murugan
Palladium(II) Catalyzed Oxidation of Glycine by Ferricyanide in Acid Medium: Kinetics and Mechanism
Journal: Current Physical Chemistry
Volume: 7 Issue: 1 Year: 2017 Page: 63-70
Author(s): Krishna K. Yerneni,Kishore Cholkar,Mridula Guin,Ananth N. Nayak,S. Ananda,Netkal M. Made Gowda