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Vallverdu, Germain
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ResearcherID: A-1191-2012
URL: http://www.researcherid.com/rid/A-1191-2012
Subject: Chemistry; Materials Science
Keywords: dft; molecular dynamics; interfaces; quantum chemistry
ORCID: http://orcid.org/0000-0003-1116-8776
My Institutions (more details)
Primary Institution:
Sub-org/Dept: IPREM / ECP
Role:
My URLs: http://gvallver.perso.univ-pau.fr
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: The role of metalloporphyrins on the physical-chemical properties of petroleum fluids
 Author(s): Santos Silva, H.; Sodero, A. C. R.; Korb, J. P.; et al.
 Source: Fuel Volume: 188 Pages: 374-381 Published: 2017
 Times Cited: 1
 DOI: 10.1016/j.fuel.2016.10.065 /  Author-provided URL : https://www.scopus.com/inward/record.uri?eid=2-s2.0-84992035666&doi=10.1016%2fj. ...
added
15-Feb-17
2.  Title: First principle study of the surface reactivity of layered lithium oxides LiMO2 (M = Ni, Mn, Co)
 Author(s): Vallverdu, Germain; Minvielle, Marie; Andreu, Nathalie; et al.
 Source: Surface Science Volume: 649 Pages: 46-55 Published: 2016/07//
 DOI: 10.1016/j.susc.2016.01.004 /  Author-provided URL : http://www.sciencedirect.com/science/article/pii/S0039602816000108
added
22-Mar-16
3.  Title: Molecular Dynamics Study of Nanoaggregation in Asphaltene Mixtures: Effects of the N, O, and S Heteroatoms
 Author(s): Silva, H. S.; Sodero, A. C. R.; Bouyssiere, B.; et al.
 Source: Energy and Fuels Volume: 30 Issue: 7 Pages: 5656-5664 Published: 2016
 Times Cited: 3
 DOI: 10.1021/acs.energyfuels.6b01170 /  Author-provided URL : https://www.scopus.com/inward/record.uri?eid=2-s2.0-84979643773&doi=10.1021%2fac ...
added
15-Feb-17
4.  Title: Possible Existence of a Monovalent Coordination for Nitrogen Atoms in LixPOyNz Solid Electrolyte: Modeling of X-ray Photoelectron Spectroscopy and Raman Spectra
 Author(s): Guille, Émilie; Vallverdu, Germain; Tison, Yann; et al.
 Source: The Journal of Physical Chemistry C Volume: 119 Issue: 41 Pages: 23379-23387 Published: 2015/10/15/
 DOI: 10.1021/acs.jpcc.5b08427 /  Author-provided URL : http://dx.doi.org/10.1021/acs.jpcc.5b08427
added
16-Oct-15
5.  Title: First-principle calculation of core level binding energies of LixPOyNz solid electrolyte
 Author(s): Guille, Émilie; Vallverdu, Germain; Baraille, Isabelle
 Source: The Journal of Chemical Physics Volume: 141 Issue: 24 Published: 2014/12/28/
 DOI: 10.1063/1.4904720 /  Author-provided URL : http://scitation.aip.org/content/aip/journal/jcp/141/24/10.1063/1.4904720
added
29-Dec-14
6.  Title: First principles calculations of solid–solid interfaces: an application to conversion materials for lithium-ion batteries
 Author(s): Martin, L.; Vallverdu, G.; Martinez, H.; et al.
 Source: Journal of Materials Chemistry Volume: 22 Issue: 41 Pages: 22063-22071 Published: 2012/10/02/
 Times Cited: 14
 DOI: 10.1039/c2jm35078e /  Author-provided URL : http://pubs.rsc.org/en/content/articlelanding/2012/jm/c2jm35078e
added
28-Nov-12
7.  Title: Excited state dynamics of the green fluorescent protein on the nanosecond time scale
 Author(s): Jonasson, G.; Teuler, J. M.; Vallverdu, G.; et al.
 Source: Journal of Chemical Theory and Computation Volume: 7 Issue: 6 Pages: 1990-1997 Published: 2011
 Times Cited: 19
 DOI: 10.1021/ct200150r /  Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-79959197040&partnerID=40&md5= ...
added
10-Jan-12
8.  Title: Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive
 Author(s): Maillet, J. B.; Bourasseau, E.; Desbiens, N.; et al.
 Source: EPL Volume: 96 Issue: 6 Pages: 68007 Published: 2011
 Times Cited: 14
 DOI: 10.1209/0295-5075/96/68007 /  Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-83755183018&partnerID=40&md5= ...
added
30-Mar-12
9.  Title: Relation between pH, structure, and absorption spectrum of Cerulean: A study by molecular dynamics and TD DFT calculations
 Author(s): Vallverdu, G.; Demachy, I.; Mérola, F.; et al.
 Source: Proteins: Structure, Function and Bioformatics Volume: 78 Issue: 4 Pages: 1040-1054 Published: 2010
 Times Cited: 6
 DOI: 10.1002/prot.22628 /  Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-77949321757&partnerID=40&md5= ...
added
10-Jan-12
10.  Title: Using biased molecular dynamics and Brownian dynamics in the study of fluorescent proteins
 Author(s): Vallverdu, G.; Demachy, I.; Ridard, J.; et al.
 Source: Journal of Molecular Structure: THEOCHEM Volume: 898 Issue: 1-3 Pages: 73-81 Published: 2009
 Times Cited: 9
 DOI: 10.1016/j.theochem.2008.07.012 /  Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-60749110632&partnerID=40&md5= ...
added
10-Jan-12
publication(s)  
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