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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

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

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

Historical Perspective and Current Outlook for Molecular Dynamics As a Chemical Engineering ToolMAGINN, E. J; ELLIOTT, J. R.Industrial & engineering chemistry research. 2010, Vol 49, Num 7, pp 3059-3078, issn 0888-5885, 20 p.Article

Molecular dynamics study of explosive crystallization of SiGe and boron-doped SiGe alloysALBENZE, Erik J; THOMPSON, Michael O; CLANCY, Paulette et al.Industrial & engineering chemistry research. 2006, Vol 45, Num 16, pp 5628-5639, issn 0888-5885, 12 p.Article

Application of molecular dynamics simulation in micro/nano tribology : Special issue on nanotribologyeEDA, Hiroshi; SHIMIZU, Jun.Japanese journal of tribology. 2004, Vol 49, Num 3, pp 223-232, issn 1045-7828, 10 p.Article

Wavelet-based interpolation algorithm for MRI imagesTAPIA, Daniel Flores; THOMAS, Gabriel; MURGUIA, Mario Chacon et al.Journal of alloys and compounds. 2004, Vol 369, pp 239-243, issn 0925-8388, 5 p.Conference Paper

Theoretical pKa estimates for solvated P(OH)5 from coordination constrained Car-Parrinello molecular dynamicsDOLTSINIST, Nikos L; SPRIK, Michiel.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 12, pp 2612-2618, issn 1463-9076, 7 p.Article

An improved acceptance procedure for the hybrid Monte Carlo algorithmNEAL, R. M.Journal of computational physics (Print). 1994, Vol 111, Num 1, pp 194-203, issn 0021-9991Article

Molecular-dynamics study of binary soft-sphere glasses: Quench-rate effects and aging effectsMIYAGAWA, H; HIWATARI, Y.Physical review. A, General physics. 1989, Vol 40, Num 10, pp 6007-6013, issn 0556-2791, 7 p.Article

Constrained dynamical downscaling for assessment of climate impactsHARKEY, M; HOLLOWAY, T.Journal of geophysical research. Atmospheres (Print). 2013, Vol 118, Num 5, pp 2136-2148, issn 2169-897X, 13 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

Fully dynamic algorithms for bin packing : Being (mostly) myopic helpsIVKOVIC, Z; LLOYD, E. L.SIAM journal on computing (Print). 1999, Vol 28, Num 2, pp 574-611, issn 0097-5397Article

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

Non-Maxwell distributions in equilibrated fluids. IIIZHU, S. B; LEE, J; ROBINSON, G. W et al.Chemical physics letters. 1990, Vol 170, Num 4, pp 368-372, issn 0009-2614, 5 p.Article

Meso-scale simulation of the polymer dynamics in the formation process of line-edge roughnessMORITA, Hiroshi; DOI, Masao.Proceedings of SPIE, the International Society for Optical Engineering. 2009, Vol 7273, issn 0277-786X, isbn 978-0-8194-7526-8 0-8194-7526-2, 727337.1-727337.8, 2Conference Paper

Validating the darken relation for diffusivities in fluid mixtures of varying densities by use of MD simulationsKRISHNA, R; VAN BATEN, J. M.Chemical engineering & technology. 2006, Vol 29, Num 6, pp 761-765, issn 0930-7516, 5 p.Article

A dynamic finite element preanalyserMURTI, V; VALLIAPPAN, S.International journal for numerical methods in engineering. 1986, Vol 23, Num 7, pp 1367-1386, issn 0029-5981Article

An extension of the canonical ensemble molecular dynamics methodNOSE, S.Molecular physics (Print). 1986, Vol 57, Num 1, pp 187-191, issn 0026-8976Article

Thermal Unfolding of a Double-Domain Protein: Molecular Dynamics Simulation of RhodaneseYING REN; JIAN GAO; WEI GE et al.Industrial & engineering chemistry research. 2009, Vol 48, Num 19, pp 8865-8871, issn 0888-5885, 7 p.Conference Paper

Fuel at the very front lineSMITH, Louise.Petroleum review (London. 1968). 2006, Vol 60, Num 718, issn 0020-3076, 20-21, 41 [3 p.]Article

Novel separation systemsCAIS, M.Chimica oggi. 1990, Vol 8, Num 11, pp 25-32, issn 0392-839XArticle

Amorphisation du cœur d'une disinclinaisonMIKHAJLIN, A. I; ROMANOV, A. E.Fizika tverdogo tela. 1986, Vol 28, Num 2, pp 601-603, issn 0367-3294Article

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