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Results 1 to 25 of 6925

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Brine rejection from freezing salt solutions: A molecular dynamics studyVRBKA, Lubos; JUNGWIRTH, Pavel.Physical review letters. 2005, Vol 95, Num 14, pp 148501.1-148501.4, issn 0031-9007Article

Local dynamics in biological macromoleculesPERICO, A.Biopolymers. 1989, Vol 28, Num 9, pp 1527-1540, issn 0006-3525, 14 p.Article

Nonequilibrium states and long range correlations in chemical dynamicsNICOLIS, G; AMELLAL, A; DUPONT, G et al.Journal of molecular liquids. 1989, Vol 41, pp 5-19, issn 0167-7322, 15 p.Article

Energy drift in reversible time integrationMCLACHLAN, R. I; PERLMUTTER, M.Journal of physics. A, mathematical and general. 2004, Vol 37, Num 45, pp L593-L598, issn 0305-4470Article

Kinetically Controlled Formation of Formamide Trimer from First PrinciplesSZYJA, Bartłomiej M; ANTONIOU, Anna; DOLTSINIS, Nikos L et al.ChemPhysChem (Print). 2013, Vol 14, Num 4, pp 812-816, issn 1439-4235, 5 p.Article

Molecular dynamics of Emiliania huxleyi and cooccurring viruses during two separate mesocosm studiesMARTINEZ, Joaquin Martinez; SCHROEDER, Declan C; LARSEN, Aud et al.Applied and environmental microbiology (Print). 2007, Vol 73, Num 2, pp 554-562, issn 0099-2240, 9 p.Article

Harmonic and quasiharmonic descriptions of crambinTEETER, M. M; CASE, D. A.Journal of physical chemistry (1952). 1990, Vol 94, Num 21, pp 8091-8097, issn 0022-3654Article

Rigid-body molecular dynamics of DNA inside a nucleosomeFATHIZADEH, Arman; AZIM BERDY BESYA; MOHAMMAD REZA EJTEHADI et al.The European physical journal. E, Soft matter (Print). 2013, Vol 36, Num 3, issn 1292-8941, 13021.1-13021.4Article

Homogenous mixing of ionic liquids: molecular dynamics simulationsRAJDEEP SINGH PAYAL; BALASUBRAMANIAN, Sundaram.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 48, pp 21077-21083, issn 1463-9076, 7 p.Article

PSExplorer: whole parameter space exploration for molecular signaling pathway dynamicsTHAI QUANG TUNG; LEE, Doheon.Bioinformatics (Oxford. Print). 2010, Vol 26, Num 19, pp 2477-2479, issn 1367-4803, 3 p.Article

Wordom : a program for efficient analysis of molecular dynamics simulationsSEEBER, Michele; CECCHINI, Marco; RAO, Francesco et al.Bioinformatics (Oxford. Print). 2007, Vol 23, Num 19, pp 2625-2627, issn 1367-4803, 3 p.Article

The interaction of water with MOF-5 simulated by molecular dynamicsGREATHOUSE, Jeffery A; ALLENDORF, Mark D.Journal of the American Chemical Society. 2006, Vol 128, Num 33, pp 10678-10679, issn 0002-7863, 2 p.Article

Energy fluctuations induced by the Nosé thermostatBYLANDER, D. M; KLEINMAN, L.Physical review. B, Condensed matter. 1992, Vol 46, Num 21, pp 13756-13761, issn 0163-1829Article

Dynamics of glycolipids in the liquid-crystalline stae H NMR studyWINSBORROW, B. G; SMITH, I. C. P; JARRELL, H. C et al.Biophysical journal. 1991, Vol 59, Num 3, pp 729-741, issn 0006-3495Article

Molecular dynamics simulation in vacuo and in solution of cyclolinopeptide A : a conformational studySAVIANO, M; AIDA, M; CORONGIU, G et al.Biopolymers. 1991, Vol 31, Num 8, pp 1017-1024, issn 0006-3525Article

Ultrafast infrared spectroscopy of bacteriorhodopsinDILLER, R; IANNONE, M; BOGOMOLNI, R et al.Biophysical journal. 1991, Vol 60, Num 1, pp 286-289, issn 0006-3495Article

The Poley absorption problemBURSHTEIN, A. I; MCCONNEL, J.Journal of molecular liquids. 1989, Vol 43, pp 21-39, issn 0167-7322, 19 p.Article

Maximally discretized molecular dynamicsCOLVIN, M. E; LADD, A. J. C; ALDER, B. J et al.Physical review letters. 1988, Vol 61, Num 4, pp 381-384, issn 0031-9007Article

A multi-scale molecular dynamics study of the assembly of micron-size supraparticles from 30 nm alkyl-coated nanoparticlesTHOMPSON, Damien; SIKORA, Mateusz; SZYMCZAK, Piotr et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 21, pp 8132-8143, issn 1463-9076, 12 p.Article

Theoretical spectroscopy using molecular dynamics: theory and application to CH5+ and its isotopologuesLVANOV, Sergei D; WITT, Alexander; MARX, Dominik et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10270-10299, issn 1463-9076, 30 p.Article

Investigating Damage Evolution at the Nanoscale: Molecular Dynamics Simulations of Nanovoid Growth in Single-Crystal AluminumBHATIA, M. A; SOLANKI, K. N; MOITRA, A et al.Metallurgical and materials transactions. A, Physical metallurgy and materials science. 2013, Vol 44, Num 2, pp 617-626, issn 1073-5623, 10 p.Conference Paper

Gelation, Phase Behavior, and Dynamics of β-Lactoglobulin Amyloid Fibrils at Varying Concentrations and Ionic StrengthsBOLISETTY, Sreenath; HARNAU, Ludger; JUNG, Jin-Mi et al.Biomacromolecules. 2012, Vol 13, Num 10, pp 3241-3252, issn 1525-7797, 12 p.Article

Microtubule length dependence of motor traffic in cellsYUNXIN ZHANG.The European physical journal. E, Soft matter (Print). 2012, Vol 35, Num 10, issn 1292-8941, 35101.1-35101.5Article

A Molecular Dynamics Simulation Study of the Cavitation Pressure in Liquid AlHOYT, Jeffrey J; POTTER, Alice A.Metallurgical and materials transactions. A, Physical metallurgy and materials science. 2012, Vol 43, Num 11, pp 3972-3977, issn 1073-5623, 6 p.Conference Paper

Eutectic formation analysis of amino acid mixtures using molecular dynamics simulationsHYUN JUNG KIM; JONG HOON KIM; SUNG HUN YOUN et al.Biotechnology progress. 2005, Vol 21, Num 4, pp 1307-1314, issn 8756-7938, 8 p.Article

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