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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Full Text (via ProQuest) |
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin ; Boston :
De Gruyter,
[2017]
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Computational sciences / |c edited by Ponnadurai Ramasami. |
| 264 | 1 | |a Berlin ; |a Boston : |b De Gruyter, |c [2017] | |
| 264 | 4 | |c ©2017. | |
| 300 | |a 1 online resource (xiii, 235 pages) : |b illustrations (some color) | ||
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| 504 | |a Includes bibliographical references at chapter ends, and index. | ||
| 505 | 0 | 0 | |t Addressing the challenges of standalone multi-core simulations in molecular dynamics / |r R. O. Ocaya and |r J. J. Terblans -- |t Optical and magnetic properties of free-standing silicene, germanene and T-graphene system / |r Suman Chowdhury, |r Arka Bandyopadhyay, |r Namrata Dhar, and |r Debnarayan Jana -- |t Theoretical study of the electronic states of newly detected dications : case of MgS²⁺ AND SiN²⁺ / |r Toufik Khairat, |r Mohammed Salah, |r Khadija Marakchi, and |r Najia Komiha -- |t Analytical solution of pantograph equation with incommensurate delay / |r Jayvant Patade and |r Sachin Bhalekar -- |t Computational chemistry applied to vibrational spectroscopy : a tool for characterization of nucleic acid bases and some of their 5-substituted derivatives / |r M. Alcolea Palafox -- |t Mechanism of nucleophilic substitution reactions of 4-(4'-nitro)phenylnitrobenzofurazan ether with aniline in acetonitrile / |r K. Gbayo, |r C. Isanbor, |r K. Lobb, and |r O. Oloba-Whenu -- |t Computational methods in preformulation study for pharmaceutical solid dosage forms of therapeutic proteins / |r Sutapa Biswas Majee and |r Gopa Roy Biswas -- |t Computational investigation of cationic, anionic and neutral Ag₂Au[capital subscript]N (N=1-7) nanoalloy clusters / |r Prabhat Ranjan, |r Tanmoy Chakraborty, and |r Ajay Kumar -- |t Evacuation simulation using hybrid space discretisation and application to large underground rail tunnel station / |r N. Chooramun, |r P. J. Lawrence, and |r E. R. Galea -- |t DFT study of anthocyanidin and anthocyanin pigments for dye-sensitized solar cells : electron injecting from the excited states and adsorption onto TiO₂ (anatase) surface / |r Emildo Marcano -- |t Elemental two-dimensional materials beyond graphene / |r Udo Schwingenschlögl, |r Jiajie Zhu, |r Tetsuya Morishita, |r Michelle J. S. Spencer, |r Paola De Padova, |r Amanda Generosi, |r Barbara Paci, |r Carlo Ottaviani, |r Claudio Quaresima, |r Bruno Olivieri, |r Eric Salomon, |r Thierry Angot, |r Guy Le Lay, |r Harold J. W. Zandvliet, and |r L. C. Lew Yan Voon. |
| 520 | |a 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 August. There were 30 presentations for the virtual conference with 100 participants from 20 countries. This book is a collection of the eleven accepted manuscripts. These manuscripts cover a range of topics from fundamental to applied science using computational methods, adding to the literature and useful as references. | ||
| 546 | |a In English. | ||
| 588 | 0 | |a Online resource; title from PDF title page (publisher's Web site, viewed 26. Okt 2017) | |
| 650 | 0 | |a Engineering |x Data processing |v Congresses. | |
| 650 | 0 | |a Research |x Data processing |v Congresses. | |
| 650 | 0 | |a Computer science |v Congresses. | |
| 650 | 0 | |a Mathematics |v Congresses. | |
| 650 | 7 | |a Computer science. |2 fast |0 (OCoLC)fst00872451. | |
| 650 | 7 | |a Engineering |x Data processing. |2 fast |0 (OCoLC)fst00910334. | |
| 650 | 7 | |a Research |x Data processing. |2 fast |0 (OCoLC)fst01095179. | |
| 700 | 1 | |a Ramasami, Ponnadurai, |e editor. | |
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