E-LIB Suche - Ergebnisse für: Garcia-Rates, Miquel

1

Ionization Energies and Redox Potentials of Hydrated Transi..:

Bhattacharjee, Sinjini ; Isegawa, Miho ; Garcia-Ratés, Miquel..
Journal of Chemical Theory and Computation. 18 (2022) 3 - p. 1619-1632 , 2022

Link: https://doi.org/10.1021/..

2

Unveiling the complex pattern of intermolecular interaction..:

Altun, Ahmet ; Garcia-Ratés, Miquel ; Neese, Frank.
Chemical Science. 12 (2021) 38 - p. 12785-12793 , 2021

Link: https://doi.org/10.1039/..

3

Solvation Effects on Methanol Decomposition on Pd(111), Pt(..:

Garcia-Ratés, Miquel ; García-Muelas, Rodrigo ; López, Núria
The Journal of Physical Chemistry C. 121 (2017) 25 - p. 13803-13809 , 2017

Link: https://doi.org/10.1021/..

4

Shape control in concave metal nanoparticles by etching:

Li, Qiang ; Rellán-Piñeiro, Marcos ; Almora-Barrios, Neyvis...
Nanoscale. 9 (2017) 35 - p. 13089-13094 , 2017

Link: https://doi.org/10.1039/..

5

Multigrid-Based Methodology for Implicit Solvation Models i..:

Garcia-Ratés, Miquel ; López, Núria
Journal of Chemical Theory and Computation. 12 (2016) 3 - p. 1331-1341 , 2016

Link: https://doi.org/10.1021/..

6

Structural Origin of Unusual CO2Adsorption Behavior of a Sm..:

Llewellyn, Philip L. ; Garcia-Rates, Miquel ; Gaberová, Lucia...
The Journal of Physical Chemistry C. 119 (2015) 8 - p. 4208-4216 , 2015

Link: https://doi.org/10.1021/..

7

Encapsulated Water Inside Mo132 Capsules: The Role of Long-..:

Garcia-Ratés, Miquel ; Miró, Pere ; Müller, Achim..
The Journal of Physical Chemistry C. 118 (2014) 10 - p. 5545-5555 , 2014

Link: https://doi.org/10.1021/..

8

Catalysis in a Porous Molecular Capsule: Activation by Regu..:

Kopilevich, Sivil ; Gil, Adrià ; Garcia-Ratés, Miquel...
Journal of the American Chemical Society. 134 (2012) 31 - p. 13082-13088 , 2012

Link: https://doi.org/10.1021/..

9

Molecular Modeling of Diffusion Coefficient and Ionic Condu..:

Garcia-Ratés, Miquel ; de Hemptinne, Jean-Charles ; Avalos, Josep Bonet.
The Journal of Physical Chemistry B. 116 (2012) 9 - p. 2787-2800 , 2012

Link: https://doi.org/10.1021/..

10

Dynamics of Encapsulated Water inside Mo132 Cavities:

Garcia-Ratés, Miquel ; Miró, Pere ; Poblet, Josep Maria..
The Journal of Physical Chemistry B. 115 (2011) 19 - p. 5980-5992 , 2011

Link: https://doi.org/10.1021/..

11

Unveiling the complex pattern of intermolecular interaction..:

Altun, Ahmet ; Garcia-Ratés, Miquel ; Neese, Frank.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8494058/. , 2021

Link: http://www.ncbi.nlm.nih...

12

Ru-S2W-H2CO_(vacuum):

Garcia-Ratés, Miquel
Original title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) DOI:10.1021/acs.jpcc.7b05545 Journal: J. Phys. Chem. C. , 2017

Link: https://find.iochem-bd.o..

13

H2O_(vacuum):

Garcia-Ratés, Miquel
Original title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) DOI:10.1021/acs.jpcc.7b05545 Journal: J. Phys. Chem. C. , 2017

Link: https://find.iochem-bd.o..

14

Pd-S2W-H3COH_(solvated):

Garcia-Ratés, Miquel
Original title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) DOI:10.1021/acs.jpcc.7b05545 Journal: J. Phys. Chem. C. , 2017

Link: https://find.iochem-bd.o..

15

Pt-S5WR-TS-H2COH-H2CO_(vacuum):

Garcia-Ratés, Miquel
Original title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) DOI:10.1021/acs.jpcc.7b05545 Journal: J. Phys. Chem. C. , 2017

Link: https://find.iochem-bd.o..