Search Result "Abinitio"
Structural and Mechanical Properties of Ti-N Films â Abinitio Calculations and Experiment
Ebook: Mechanical Engineering Technologies and Applications
Volume: 3 Year: 2023
Author(s):
Doi: 10.2174/9789815179279123030011
A Theoretical Investigation of ZnO Nanotubes: Size and Diameter
Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 400-407
Author(s): Eduardo de Moraes,Ricardo Gargano,José R. dos Santos Politi,Elton A. S. de Castro,José Divino dos Santos,Elson Longo,C. A. Taft,João B. L. Martins
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
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
Structural Insights Into Physical Interactions Of Transcription Factor-Dna Complexes At An Atomic Level
Ebook: The Analysis of Regulatory DNA: Current Developments, Knowledge and Applications Uncovering Gene Regulation
Volume: 1 Year: 2013
Author(s): Nina M. Fischer,Oliver Kohlbacher
Doi: 10.2174/9781608054923113010013
Modeling Physico-Chemical Properties of Quinolone Derivatives Using GA-MLR as a Computational Study
Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 6 Year: 2020 Page: 667-681
Author(s): Meysam Shirmohammadi,Esmat Mohammadinasab,Zakiyeh Bayat
Small Angle Scattering and ab initio Modeling
Ebook: Advances in Physicochemical Properties of Biopolymers (Part 1)
Volume: 1 Year: 2017
Author(s): Denis Renard,C. Sanchez
Doi: 10.2174/9781681084534117010006
Synthetic Diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates Induce Apoptosis
Journal: Medicinal Chemistry
Volume: 14 Issue: 8 Year: 2018 Page: 851-862
Author(s): Seunghyun Ahn,Youngshim Lee,Jihyun Park,Junho Lee,Soon Y. Shin,Young H. Lee,Dongsoo Koh,Yoongho Lim
EDITORIAL (Hot Topic: Biomolecular Simulations and Applications)
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 313-313
Author(s): Athanassios Stavrakoudis
Ionization Modeling of Buckyball C70
Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 87-93
Author(s): M. R. Vargas,J. D. Santos,D. S. Lemelle,C. A. Taft,E. Longo