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Results 1 to 25 of 1627

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Fluid Compressibility Predicted Using Atomistic SimulationsVADAKKEPATT, Ajay; MARTINI, Ashlie.Tribology & lubrication technology. 2011, Vol 67, Num 4, pp 14-16, issn 1545-858X, 3 p.Article

Atomistic Simulations of Mechanics of NanostructuresHANCHEN HUANG; VAN SWYGENHOVEN, Helena.MRS bulletin. 2009, Vol 34, Num 3, issn 0883-7694, 49 p.Serial Issue

Vibrational modes of free nanoparticles : From atomic to continuum scalesRAMIREZ, Fernando; HEYLIGER, Paul R; RAPPE, Anthony K et al.The Journal of the Acoustical Society of America. 2008, Vol 123, Num 2, pp 709-717, issn 0001-4966, 9 p.Article

Coarse grain models and the computer simulation of soft materialsNIELSEN, Steve O; LOPEZ, Carlos F; SRINIVAS, Goundla et al.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 15, pp R481-R512, issn 0953-8984Article

FREE ENERGY OF SMALL FACE CENTRED CUBIC CLUSTERS OF ATOMSBURTON JJ.1973; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1973; VOL. 69; NO 4; PP. 540-550; BIBL. 23 REF.Serial Issue

Anomalous thermal transport along the grain boundaries of bicrystalline graphene nanoribbons from atomistic simulationsLIU, Te-Huan; LEE, Shang-Chin; PAO, Chun-Wei et al.Carbon (New York, NY). 2014, Vol 73, pp 432-442, issn 0008-6223, 11 p.Article

Modelling a polyelectrolyte system in water to estimate the ion-conductivityENNARI, J; ELOMAA, M; SUNDHOLM, F et al.Polymer (Guildford). 1999, Vol 40, Num 18, pp 5035-5041, issn 0032-3861Article

Role of cone angle on the mechanical behavior of cup-stacked carbon nanofibers studied by atomistic simulationsJINGJUN GU; SANSOZ, Frederic.Carbon (New York, NY). 2014, Vol 66, pp 523-529, issn 0008-6223, 7 p.Article

Molecular Insights into Diphenylalanine Nanotube Assembly: All-Atom Simulations of OligomerizationJEON, Joohyun; MILLS, Carolyn E; SCOTT SHELL, M et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 15, pp 3935-3943, issn 1520-6106, 9 p.Article

Atomistic spin-orbit coupling and kp parameters in III-V semiconductorsJANCU, J.-M; SCHOLZ, R; DE ANDRADA E SILVA, E. A et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 19, pp 193201.1-193201.4, issn 1098-0121Article

Systematic pathway generation and sorting in martensitic Transformations : Titanium a to ωTRINKLE, D. R; HATCH, D. M; STOKES, H. T et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 1, pp 014105.1-014105.11, issn 1098-0121Article

Atomistic counterpart of micromorphic theoryCHEN, Y; LEE, J. D; ESKANDARIAN, A et al.Acta mechanica. 2003, Vol 161, Num 1-2, pp 81-102, issn 0001-5970, 22 p.Article

Atomistic Description of the Folding of a Dimeric ProteinPIANA, Stefano; LINDORFF-LARSEN, Kresten; SHAW, David E et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 42, pp 12935-12942, issn 1520-6106, 8 p.Article

Multiscale simulation of heterogeneous materials and coupling of thermodynamic models, Leuven, Belgium, 12-14 January 2011MOELAN, Nele; SAMAEY, Giovanni.Computational materials science. 2013, Vol 66, issn 0927-0256, 106 p.Conference Proceedings

Molecular Simulations of Interacting NanocrystalsSCHAPOTSCHNIKOW, Philipp; POOL, René; VLUGT, Thijs J. H et al.Nano letters (Print). 2008, Vol 8, Num 9, pp 2930-2934, issn 1530-6984, 5 p.Article

Layer-stripes in charge-ordered La1-xCaxMnO3 (x = 1/3,1/2, and 2/3)TANG, F. L; ZHANG, X.Journal of physics. Condensed matter (Print). 2007, Vol 19, Num 10, issn 0953-8984, 106216.1-106216.13Article

Structural unit and faceting description of Σ3 asymmetric tilt grain boundariesTSCHOPP, Mark A; MCDOWELL, David L.Journal of materials science. 2007, Vol 42, Num 18, pp 7806-7811, issn 0022-2461, 6 p.Article

Stability of the chevron domain at triple-line reconstructionsLANCON, Frédéric; RADETIC, Tamara; DAHMEN, Ulrich et al.Physical review B. Condensed matter and materials physics. 2004, Vol 69, Num 17, pp 172102.1-172102.4, issn 1098-0121Article

An atomistic approach to general equation for the nonequilibrium reversible-irreversible couplingDE PABLO, Juan José; ÖTTINGER, Hans Christian.Journal of non-newtonian fluid mechanics. 2001, Vol 96, Num 1-2, pp 137-162, issn 0377-0257Conference Paper

Nanomechanics of defects in solidsORTIZ, M; PHILLIPS, R.Advances in applied mechanics. 1999, Vol 36, pp 1-79, issn 0065-2156Article

Sequence-Dependent Base-Stacking Stabilities Guide tRNA Folding Energy LandscapesRONGZHONG LI; GE, Heming W; CHO, Samuel S et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 42, pp 12943-12952, issn 1520-6106, 10 p.Article

Aggregation Properties of a Polymeric Anticancer Therapeutic: A Coarse-Grained Modeling StudyPENG, Lili X; LEI YU; HOWELL, Stephen B et al.Journal of chemical information and modeling. 2011, Vol 51, Num 12, pp 3030-3035, issn 1549-9596, 6 p.Article

Diffusion mechanisms taking place at the early stages of cobalt deposition on Au(111)OVIEDO, O. A; LEIVA, E. P. M; MARISCAL, M. M et al.Journal of physics. Condensed matter (Print). 2008, Vol 20, Num 26, issn 0953-8984, 265010.1-265010.6Article

Atomistic modeling of optical properties of thin filmsPUSCHNIG, Peter; AMBROSCH -DRAXL, Claudia.Advanced engineering materials (Print). 2006, Vol 8, Num 11, pp 1151-1155, issn 1438-1656, 5 p.Article

Compact and dissociated dislocations in aluminum: Implications for deformationSRINIVASAN, S. G; LIAO, X. Z; BASKES, M. I et al.Physical review letters. 2005, Vol 94, Num 12, pp 125502.1-125502.4, issn 0031-9007Article

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