Alfredo Sánchez de Merás

University of Valencia

22H指数

75论文数

4.4K被引数

收录论文 13

发表时间

Development of accurate potentials for the physisorption of water on graphene

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-01-09

OAAI

Vekeman, Jelle; Garcia Cuesta, Inmaculada; Faginas-Lago, Noelia; Sanchez-Marin, Jose; Sanchez de Meras, Alfredo M. J.

Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture Grand Canonical Monte Carlo模拟以确定石墨烯狭缝状孔吸附甲烷，氢气及其等摩尔混合物的最佳层间距离

NANOMATERIALS

IF4.3

2021-09-28

OAAI

Vekeman, Jelle; Bahamon, Daniel; Garcia Cuesta, Inmaculada; Faginas-Lago, Noelia; Sanchez-Marin, Jose; Sanchez de Meras, Alfredo; Vega, Lourdes F.

Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-10-24

PREAI

Vekeman, Jelle; Sanchez-Marin, Jose; Sanchez de Meras, Alfredo; Garcia Cuesta, Inmaculada; Faginas-Lago, Noelia

Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study

FRONTIERS IN CHEMISTRY

IF4.2

2019-06-03

OAAI

Vekeman, Jelle; Faginas-Lago, Noelia; Lombardi, Andrea; Sanchez de Meras, Alfredo; Garcia Cuesta, Inmaculada; Rosi, Marzio

Multi-level coupled cluster theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-12-08

PREAI

Myhre, Rolf H.; Sanchez de Meras, Alfredo M. J.; Koch, Henrik

Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-03-12

OAAI

Baudin, Pablo; Sanchez Marin, Jose; Garcia Cuesta, Inmaculada; Sanchez de Meras, Alfredo M. J.

The Dalton quantum chemistry program system

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2013-09-23

1.4K

OAAI

Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjorn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pal; Dalskov, Erik K.; Ekstrom, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernandez, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenaes, Eirik; Host, Stinne; Hoyvik, Ida-Marie; Iozzi, Maria Francesca; Jansik, Branislav; Jensen, Hans Jorgen Aa.; Jonsson, Dan; Jorgensen, Poul; Kauczor, Joanna; Kirpekar, Sheela; Kjrgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnaes, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf H.; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas B.; Provasi, Patricio F.; Reine, Simen; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; de Meras, Alfredo Sanchez; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn H.; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik I.; Tew, David P.; Thorvaldsen, Andreas J.; Thogersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Agren, Hans

Cholesky decomposition-based definition of atomic subsystems in electronic structure calculations 电子结构计算中基于Cholesky分解的原子子系统定义

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-05-28

PREAI

Sanchez de Meras, Alfredo M. J.; Koch, Henrik; Garcia Cuesta, Inmaculada; Boman, Linus

Method specific Cholesky decomposition: Coulomb and exchange energies

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-10-02

OAAI

Boman, Linus; Koch, Henrik; Sanchez de Meras, Alfredo