LEADER 04088nam 22006975 450 001 9910254038303321 005 20200630124239.0 010 $a981-10-1128-1 024 7 $a10.1007/978-981-10-1128-3 035 $a(CKB)3710000000718392 035 $a(EBL)4537070 035 $a(DE-He213)978-981-10-1128-3 035 $a(MiAaPQ)EBC4537070 035 $a(PPN)194377075 035 $a(EXLCZ)993710000000718392 100 $a20160601d2016 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aFoundations of Molecular Modeling and Simulation $eSelect Papers from FOMMS 2015 /$fedited by Randall Q Snurr, Claire S. Adjiman, David A. Kofke 205 $a1st ed. 2016. 210 1$aSingapore :$cSpringer Singapore :$cImprint: Springer,$d2016. 215 $a1 online resource (176 p.) 225 1 $aMolecular Modeling and Simulation, Applications and Perspectives,$x2364-5083 300 $aDescription based upon print version of record. 311 $a981-10-1126-5 320 $aIncludes bibliographical references at the end of each chapters. 327 $aA Discontinuous-Potential Model for Protein-Protein Interactions -- Probing How Defects in Self-Assembled Monolayers Affect Peptide Adsorption with Molecular Simulation -- Development of a Coarse-Grained Water Forcefield Via Multistate Iterative Boltzmann Inversion -- Optimizing Molecular Models through Force Field Parameterization via the Efficient Combination of Modular Program Packages -- A Hierarchical, Component Based Approach to Screening Properties of Soft Matter -- Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-Classical Beads -- Homogeneous Nucleation of [Dmim+][Cl-] from its Supercooled Liquid Phase: A Molecular Simulation Study -- Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System -- Atomistic Modeling and Simulation at Solving Gas-Extraction Problems -- Atomistic Simulations of CO2 During ?Trapdoor? Adsorption Onto Na-Rho Zeolite. 330 $aThis book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 is the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting focuses on Molecular Modeling and the Materials Genome. 410 0$aMolecular Modeling and Simulation, Applications and Perspectives,$x2364-5083 606 $aBiochemical engineering 606 $aApplied mathematics 606 $aEngineering mathematics 606 $aMolecular biology 606 $aMaterials science 606 $aBiochemical Engineering$3https://scigraph.springernature.com/ontologies/product-market-codes/C12029 606 $aMathematical and Computational Engineering$3https://scigraph.springernature.com/ontologies/product-market-codes/T11006 606 $aMolecular Medicine$3https://scigraph.springernature.com/ontologies/product-market-codes/B1700X 606 $aCharacterization and Evaluation of Materials$3https://scigraph.springernature.com/ontologies/product-market-codes/Z17000 615 0$aBiochemical engineering. 615 0$aApplied mathematics. 615 0$aEngineering mathematics. 615 0$aMolecular biology. 615 0$aMaterials science. 615 14$aBiochemical Engineering. 615 24$aMathematical and Computational Engineering. 615 24$aMolecular Medicine. 615 24$aCharacterization and Evaluation of Materials. 676 $a541.220113 702 $aSnurr$b Randall Q$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aAdjiman$b Claire S$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aKofke$b David A$4edt$4http://id.loc.gov/vocabulary/relators/edt 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910254038303321 996 $aFoundations of molecular modeling and simulation$91904785 997 $aUNINA LEADER 00498nas 2200205zu 450 001 9911016179903321 005 20250802150156.0 011 $a2952-5535 035 $a(CKB)40073476600041 035 $a(EXLCZ)9940073476600041 100 $a20250802cuuuuuuuu || | 101 0 $aeng 135 $aur||||||||||| 200 00$aCodex 210 $cUCOPress. Universidad de Córdoba$aSpain 311 08$a1695-7369 906 $aJOURNAL 912 $a9911016179903321 996 $aCodex$958402 997 $aUNINA