Computation,volume 4,issue 3  (07-2016)

Period of time： 2016年3期

Publisher： MDPI

Founded in： 2013

Total resources： 17

E-ISSN： 2079-3197|4|3

ISSN： 2079-3197

Subject： TP3 Computers

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Computation,volume 4,issue 3

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Orbital Energy-Based Reaction Analysis of SN2 Reactions

By Tsuneda Takao,Maeda Satoshi,Harabuchi Yu,Singh Raman K. in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-07 , pp. 23-23

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On the v-Representabilty Problem in Density Functional Theory: Application to Non-Interacting Systems

By Däne Markus,Gonis Antonios in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-07 , pp. 24-24

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Predictions of Physicochemical Properties of Ionic Liquids with DFT

By Karu Karl,Ruzanov Anton,Ers Heigo,Ivaništšev Vladislav,Lage-Estebanez Isabel,García de la Vega José M. in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-07 , pp. 25-25

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Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications

By Juarez Fernanda,Soldano German,Santos Elizabeth,Guesmi Hazar,Tielens Frederik,Mineva Tzonka in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-07 , pp. 26-26

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Automatic Generation of Massively Parallel Codes from ExaSlang

By Kuckuk Sebastian,Köstler Harald in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-08 , pp. 27-27

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Highly Excited States from a Time Independent Density Functional Method

By Glushkov Vitaly,Levy Mel in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-08 , pp. 28-28

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DiamondTorre Algorithm for High-Performance Wave Modeling

By Levchenko Vadim,Perepelkina Anastasia,Zakirov Andrey in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-08 , pp. 29-29

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Electron Correlations in Local Effective Potential Theory

By Sahni Viraht,Pan Xiao-Yin,Yang Tao in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-08 , pp. 30-30

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Computational Analysis of Natural Ventilation Flows in Geodesic Dome Building in Hot Climates

By Soleimani Zohreh,Calautit John Kaiser,Hughes Ben Richard in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-08 , pp. 31-31

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Calculation of the Acoustic Spectrum of a Cylindrical Vortex in Viscous Heat-Conducting Gas Based on the Navier–Stokes Equations

By Petrova Tatiana,Shugaev Fedor in (2016)

Computation,volume 4,issue 3 , Vol. 4, Iss. 3, 2016-08 , pp. 32-32

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