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Results 1 to 25 of 14095

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Daniel Kivelson : His contributions to the dynamics of liquidsWILLIAMS, Graham.Journal of non-crystalline solids. 2005, Vol 351, Num 33-36, pp 2710-2715, issn 0022-3093, 6 p.Conference Paper

Application of steered molecular dynamics (SMD) to study DNA-drug complexes and probing helical propensity of amino acidsORZECHOWSKI, Marek; CIEPLAK, Piotr.Journal of physics. Condensed matter (Print). 2005, Vol 17, Num 18, pp S1627-S1640, issn 0953-8984Conference Paper

Dynamics conditions for channeling during H- scattering on Cu(111)YU, S; BAHRIM, B; MAKARENKO, B et al.Surface science. 2013, Vol 614, pp 12-19, issn 0039-6028, 8 p.Article

Molecular Dynamics Simulation of the Arginine-Assisted Solubilization of Caffeic Acid: Intervention in the InteractionHIRANO, Atsushi; KAMEDA, Tomoshi; SHINOZAKI, Daisuke et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 25, pp 7519-7528, issn 1520-6106, 10 p.Article

Simulation Studies of Structure and Edge Tension of Lipid Bilayer Edges: Effects of Tail Structure and Force-FieldWEST, Ana; MA, Kevin; CHUNG, Jonathan L et al.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 7114-7123, issn 1089-5639, 10 p.Article

The structure of planar Coulomb crystals in RF trapsBULUTA, I. M; HASEGAWA, S.Journal of physics. B. Atomic, molecular and optical physics (Print). 2009, Vol 42, Num 15, issn 0953-4075, 154004.1-154004.7Article

Detection of non-native hydrophobic interactions in the denatured state of lysozyme by molecular dynamics simulationsPACI, Emanuele; VENDRUSCOLO, Michele.Journal of physics. Condensed matter (Print). 2005, Vol 17, Num 18, pp S1617-S1626, issn 0953-8984Conference Paper

How many non-crystalline solids can be made from all the elements of the periodic table?ZANOTTO, E. D; COUTINHO, F. A. B.Journal of non-crystalline solids. 2004, Vol 347, Num 1-3, pp 285-288, issn 0022-3093, 4 p.Article

Conformational Study of GSH and GSSG Using Constant-pH Molecular Dynamics SimulationsVILA-VICOSA, Diogo; TEIXEIRA, Vitor H; SANTOS, Hugo A. F et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 25, pp 7508-7518, issn 1520-6106, 11 p.Article

D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypesWU, Yan-Bo; YAN DUAN; GANG LU et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 43, pp 14760-14763, issn 1463-9076, 4 p.Article

Self-Diffusivity Estimation by Molecular DynamicsGEREK, Z. Nevin; ELLIOTT, J. Richard.Industrial & engineering chemistry research. 2010, Vol 49, Num 7, pp 3411-3423, issn 0888-5885, 13 p.Article

Biomolecules as soft matter surfacesBITTNER, Alexander M; HEBER, Frederik; HAMAEKERS, Jan et al.Surface science. 2009, Vol 603, Num 10-12, pp 1922-1925, issn 0039-6028, 4 p.Article

Classical molecular dynamics: whither?RAPAPORT, D. C.Computer physics communications. 2002, Vol 146, Num 1, issn 0010-4655, p. 134Conference Paper

Computing aspects of molecular dynamics simulationSUMNESH GUPTA.Computer physics communications. 1992, Vol 70, Num 2, pp 243-270, issn 0010-4655Article

Rapid Exploration of Configuration Space with Diffusion-Map-Directed Molecular DynamicsWENWEI ZHENG; ROHRDANZ, Mary A; CLEMENTI, Cecilia et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 42, pp 12769-12776, issn 1520-6106, 8 p.Article

Atomic assembly of metal surfaces and interfacesQUAN, J. J; ZHOU, X. W; WADLEY, H. N. G et al.Surface science. 2006, Vol 600, Num 19, pp 4537-4547, issn 0039-6028, 11 p.Article

The darken relation for multicomponent diffusion in liquid mixtures of linear alkanes : An investigation using molecular dynamics (MD) simulationsKRISHNA, R; VAN BATEN, J. M.Industrial & engineering chemistry research. 2005, Vol 44, Num 17, pp 6939-6947, issn 0888-5885, 9 p.Article

Simulations of nanoscale flow : water, proton, and biopolymer transport through carbon nanotube membranesHUMMER, Gerhard.SPIE proceedings series. 2005, pp 214-219, isbn 0-8194-5545-8, 6 p.Conference Paper

A Reactive Molecular Dynamics Study of n-Heptane Pyrolysis at High TemperatureJUNXIA DING; LIANG ZHANG; YAN ZHANG et al.The journal of physical chemistry. A. 2013, Vol 117, Num 16, pp 3266-3278, issn 1089-5639, 13 p.Article

Molecular Dynamics Study of Water Transfer at Supercooled Sulfuric Acid Solution Surface Covered with ButanolSAKAGUCHI, Suguru; MORITA, Akihiro.The journal of physical chemistry. A. 2013, Vol 117, Num 22, pp 4602-4610, issn 1089-5639, 9 p.Article

Constraints: From Physical Principles to Molecular Simulations and BeyondECHENIQUE, P; CICOTTI, G.The European physical journal. Special topics. 2011, Vol 200, issn 1951-6355, 272 p.Serial Issue

Impact and spreading behavior of cluster atoms bombarding substratesFANG, Te-Hua; KANG, Shao-Hui; LIAO, Jia-Hung et al.Applied surface science. 2010, Vol 256, Num 5, pp 1395-1398, issn 0169-4332, 4 p.Article

Interactions between clay portions with various contacts and subjected to specific environmental conditionsZHENG, Y; ZAOUI, A; PASTEAU, A et al.Applied surface science. 2014, Vol 292, pp 311-318, issn 0169-4332, 8 p.Article

Thermal Isomerization of the Chromoprotein asFP595 and Its Kindling Mutant A143G: QM/MM Molecular Dynamics SimulationsMIRONOV, Vladimir A; KHRENOVA, Maria G; GRIGORENKO, Bella L et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 43, pp 13507-13514, issn 1520-6106, 8 p.Article

Molecular dynamics simulation of CH3 interaction with Si(100) surfaceGOU, F; GLEESON, M. A; KLEYN, A. W et al.Surface science. 2007, Vol 601, Num 18, pp 3965-3969, issn 0039-6028, 5 p.Conference Paper

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