Zobrazeno 1 - 10
of 707
pro vyhledávání: '"Goursot, A."'
Publikováno v:
In Applied Animal Behaviour Science June 2024 275
Autor:
Périer, Matthieu, Huang, Florent, Goursot, Yves, Hir, Anne-Sophie Le, Gabriel, Seret, Haidar, Hachem-Ali, Benamer, Hakim
Publikováno v:
In Annales de cardiologie et d'angéiologie December 2022 71(6):381-390
Autor:
Périer, M., Goursot, Y., Russel, S., Darrort, C., Camalet, L., Huang, F., Sulman, D., Haziza, F., Benamer, H.
Publikováno v:
In Annales de cardiologie et d'angéiologie December 2020 69(6):392-399
Autor:
Goursot, Charlotte, Düpjan, Sandra, Tuchscherer, Armin, Puppe, Birger, Leliveld, Lisette M.C.
Publikováno v:
In Animal Behaviour August 2019 154:183-192
Autor:
Krishnamurty, Sailaja, Stefanov, Milen, Mineva, Tzonka, Begu, Sylvie, Devoisselle, Jean Marie, Goursot, Annick, Zhu, Rui, Salahub, Dennis R.
This computational experiment demonstrates that chain melting in lipids is a molecular process. BOMD is certainly the best method to reproduce such dynamics properties, since the electronic contributions to the various molecular structures sampled by
Externí odkaz:
http://arxiv.org/abs/0806.0822
Autor:
Krishnamurty, S., Stefanov, M., Mineva, T., Begu, S., Devoisselle, J. M., Goursot, A., Zhu, R., Salahub, D. R.
The conformational space of the dimyristoyl phosphatidylcholine (DMPC) molecule has been studied using Density Functional Theory (DFT), augmented with a damped empirical dispersion energy term (DFT-D). Fourteen ground-state isomers have been found wi
Externí odkaz:
http://arxiv.org/abs/0806.0774
Periodic density functional theory has been employed to characterize the differences in the structural, Lewis acidic and hydrophobic properties of Sn--BEA and Ti--BEA. We show that the incorporation of Sn increases the Lewis acidity of BEA compared t
Externí odkaz:
http://arxiv.org/abs/cond-mat/0601433
The structural, electronic and the bonding properties of the Sn-BEA are investigated by using the periodic density functional theory. Each of the 9 different T-sites in the BEA were substituted by the Sn atom and all the 9 geometries were completely
Externí odkaz:
http://arxiv.org/abs/cond-mat/0504159
We have performed ab initio molecular dynamics simulations to study the nature of the synchronous double proton transfer in formic acid dimer. In order to understand the evolution of the bonding during the double proton transfer, we have used the ele
Externí odkaz:
http://arxiv.org/abs/cond-mat/0412310
Autor:
Dennis R. Salahub, Sergei Yu. Noskov, Bogdan Lev, Rui Zhang, Van Ngo, Annick Goursot, Patrizia Calaminici, Andreas M. Köster, Aurelio Alvarez-Ibarra, Daniel Mejía-Rodríguez, Jan Řezáč, Fabien Cailliez, Aurélien de la Lande
Publikováno v:
Molecules, Vol 20, Iss 3, Pp 4780-4812 (2015)
The density functional code deMon2k employs a fitted density throughout (Auxiliary Density Functional Theory), which offers a great speed advantage without sacrificing necessary accuracy. Powerful Quantum Mechanical/Molecular Mechanical (QM/MM) appro
Externí odkaz:
https://doaj.org/article/1d53c5b6ce0d467f975353ca8918df0b