Computational sciences / edited by Ponnadurai Ramasami.
A virtual conference on computational science (VCCS-2016) was organized online from 1 to 31 August 2016. This was the fourth virtual conference which was started in 2013. The month of August was chosen to commemorate the birth anniversary of Erwin Schrödinger , the father of quantum mechanics, on 12...
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| Format: | eBook |
| Language: | English |
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Berlin ; Boston :
De Gruyter,
[2017]
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Table of Contents:
- Addressing the challenges of standalone multi-core simulations in molecular dynamics / R. O. Ocaya and J. J. Terblans
- Optical and magnetic properties of free-standing silicene, germanene and T-graphene system / Suman Chowdhury, Arka Bandyopadhyay, Namrata Dhar, and Debnarayan Jana
- Theoretical study of the electronic states of newly detected dications : case of MgS²⁺ AND SiN²⁺ / Toufik Khairat, Mohammed Salah, Khadija Marakchi, and Najia Komiha
- Analytical solution of pantograph equation with incommensurate delay / Jayvant Patade and Sachin Bhalekar
- Computational chemistry applied to vibrational spectroscopy : a tool for characterization of nucleic acid bases and some of their 5-substituted derivatives / M. Alcolea Palafox
- Mechanism of nucleophilic substitution reactions of 4-(4'-nitro)phenylnitrobenzofurazan ether with aniline in acetonitrile / K. Gbayo, C. Isanbor, K. Lobb, and O. Oloba-Whenu
- Computational methods in preformulation study for pharmaceutical solid dosage forms of therapeutic proteins / Sutapa Biswas Majee and Gopa Roy Biswas
- Computational investigation of cationic, anionic and neutral Ag₂Au[capital subscript]N (N=1-7) nanoalloy clusters / Prabhat Ranjan, Tanmoy Chakraborty, and Ajay Kumar
- Evacuation simulation using hybrid space discretisation and application to large underground rail tunnel station / N. Chooramun, P. J. Lawrence, and E. R. Galea
- DFT study of anthocyanidin and anthocyanin pigments for dye-sensitized solar cells : electron injecting from the excited states and adsorption onto TiO₂ (anatase) surface / Emildo Marcano
- Elemental two-dimensional materials beyond graphene / Udo Schwingenschlögl, Jiajie Zhu, Tetsuya Morishita, Michelle J. S. Spencer, Paola De Padova, Amanda Generosi, Barbara Paci, Carlo Ottaviani, Claudio Quaresima, Bruno Olivieri, Eric Salomon, Thierry Angot, Guy Le Lay, Harold J. W. Zandvliet, and L. C. Lew Yan Voon.