TY  - BOOK
AU  - Ramasami,Ponnadurai
AU  - Alcolea Palafox,Mauricio
AU  - Akra,Bandyopadhyay
AU  - Bhalekar,Sachin
AU  - Biswas Majee,Sutapa
AU  - Chooramun,Nitish
AU  - Chowdhury,Suman
AU  - Jana,Debnarayan
AU  - Dhar,Namrata
AU  - Galea,Ed
TI  - Computational Sciences
SN  - 9783110467215
AV  - TA345 .C667 2017 
PY  - 2017///
CY  - Berlin/Boston
PB  - Walter de Gruyter GmbH
KW  - Engineering-Data processing
KW  - Research-Data processing
KW  - Computer science
KW  - Electronic books
N1  - Intro -- Preface of the Book of Proceedings of the Virtual Conference on Computational Science (VCCS-2016) -- Contents -- List of contributing authors -- 1. Addressing the challenges of standalone multi-core simulations in molecular dynamics -- 2. Optical and magnetic properties of free-standing silicene, germanene and T-graphene system -- 3. Theoretical study of the electronic states of newly detected dications. Case of MgS2+ AND SiN2+ -- 4. Analytical Solution of Pantograph Equation with Incommensurate Delay -- 5. Computational chemistry applied to vibrational spectroscopy: A tool for characterization of nucleic acid bases and some of their 5-substituted derivatives -- 6. Mechanism of nucleophilic substitution reactions of 4-(4'-nitro)phenylnitrobenzofurazan ether with aniline in acetonitrile -- 7. Computational methods in preformulation study for pharmaceutical solid dosage forms of therapeutic proteins -- 8. Computational Investigation of Cationic, Anionic and Neutral Ag2AuN (N = 1-7) Nanoalloy Clusters -- 9. Evacuation simulation using Hybrid Space Discretisation and Application to Large Underground Rail Tunnel Station -- 10. DFT study of anthocyanidin and anthocyanin pigments for Dye-Sensitized Solar Cells: Electron injecting from the excited states and adsorption onto TiO2 (anatase) surface -- 11. Elemental Two-Dimensional Materials Beyond Graphene -- Index
UR  - https://ebookcentral.proquest.com/lib/orpp/detail.action?docID=5116135
ER  -