Search Result "supercell"

Influence of the Bulk Growth Direction on TiO2 and SnO2 Surface Energies

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 81-86
Author(s): Sergio R. De Lazaro,Renato F. Penteado,Daniella Ingles,Sergio M. Tebcherani

A Theoretical Analysis of Sb5+ Incorporation in Highly Doped SnO2 Matrix

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 15-20
Author(s): Emerson A. Floriano,Luis V.A. Scalvi,Julio R. Sambrano

Research Article

Hemisynthesis of Pentacyclic Triterpenoids from Diospyros foxworthyi with In vitroand In silico Anti-malarial Evaluation

Journal: Current Organic Chemistry
Volume: 28 Issue: 10 Year: 2024 Page: 799-814
Author(s): Muhammad Solehin Abd Ghani,Nur Ain Latifhaa Abu Bakar,Arba Pramundita Ramadani,Arde Toga Nugraha,Khalijah Binti Awang,Mohammad Tasyriq Che Omar,Ezatul Ezleen Kamarulzaman,Mohamad Nurul Azmi Mohamad Taib

Research Article

Substitutional Tungsten Doping in Silicon Carbide Introducing MagneticProperties: A Computational DFT Approach

Journal: Nanoscience & Nanotechnology-Asia
Volume: 12 Issue: 4 Year: 2022 Page: 53-59
Author(s): Dipan kumar Das

Electronic and Piezoelectric Properties of Nonmetal Doped II-VI Monolayer Compounds

Ebook: Advanced Materials and Nano Systems: Theory and Experiment (Part 3)
Volume: 3 Year: 2024
Author(s): Ramesh Chandra Tiwari
Doi: 10.2174/9789815223101124030008

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

EDITORIAL (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships- Part I)

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 377-377
Author(s): Carlton A. Taft

Editorial

Editorial (Thematic Issue: Ceramics, Nanotubes, Advanced Materials: Theoretical and Experimental Structure-Property Relationships Part III)

Journal: Current Physical Chemistry
Volume: 5 Issue: 3 Year: 2015 Page: 187-187
Author(s): Carlton A. Taft

Photonic Crystal Technologies: From Theories to Practice

Ebook: Photonic Bandgap Structures Novel Technological Platforms for Physical, Chemical and Biological Sensing
Volume: 1 Year: 2012
Author(s): Dennis W. Prather,Shouyuan Shi,Ahmed Sharkawy,Janusz Murakowski,Garrett J. Schneider
Doi: 10.2174/978160805448011201010049

A DFT/B3LYP Investigation of Sulfur Doping at 6.25% on ZnO Material

Journal: Current Physical Chemistry
Volume: 5 Issue: 3 Year: 2015 Page: 263-267
Author(s): Luis H. da Silveira Lacerda, Sergio R. de Lazaro, Caue R. de Oliveira

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