Search Results - "molecular model"

Molecular modeling and simulation : an interdisciplinary guide 2nd ed. by Schlick, Tamar

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Computational chemistry and molecular modeling : principles and applications by Ramachandran, K. I.

Contents: “…Research in Computational Chemistry and Molecular Modeling --…”
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Hybrid methods of molecular modeling by Tchougréeff, Andrei L.

Contents: “…Molecular Modeling: Problem Formulation and Wrapping Contexts; Models of Molecular Structure: Hybrid Perspective; Deductive Molecular Mechanics: Bridging Quantum and Classical Models of Molecular Structure; Synthesis: Hybrid Molecular Models for Coordination Compounds.…”
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Foundations of molecular modeling and simulation : select papers from FOMMS 2015 by International Conference on Foundations of Molecular Modeling and Simulation Mount Hood, Or., SpringerLink (Online service)

Contents: “…A 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.…”
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Variational methods in molecular modeling by SpringerLink (Online service)

“…Molecular modeling and simulation.…”
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Molecular modelling and synthesis of nanomaterials : applications in carbon- and boron-based nanotechnology by Boustani, Ihsan

Contents: “…Molecular Modelling --…”
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Foundations of molecular modeling and simulation : select papers from FOMMS 2018 by International Conference on Foundations of Molecular Modeling and Simulation Delevan, Wis., SpringerLink (Online service)

Contents: “…Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy -- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks -- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions -- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution -- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited -- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics -- Coarse-Grained Force Fields Built on Atomistic Force Fields -- How Molecular Modelling Tools Can Help in Mitigaint Climate Change.…”
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QSAR and molecular modeling studies in heterocyclic drugs. II by SpringerLink (Online service)

Contents: “…Hadjipavlou-Litina: QSAR and Molecular Modeling Studies of Factor Xa and Thrombin Inhibitors -- S. …”
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Qsar and molecular modeling studies in heterocyclic drugs I by SpringerLink (Online service)

Contents: “…Bhhatarai: QSAR and Molecular Modeling Studies of HIV Protease Inhibitors.…”
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Molecular modeling and multiscaling issues for electronic material applications by SpringerLink (Online service)

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Molecular modeling and multiscaling issues for electronic material applications. Volume 2 by SpringerLink (Online service)

Contents: “…Molecular Modeling of pH-Dependent Properties of Emeraldine Base Polyaniline for pH-Based Chemical Sensors -- Two Approaches of Study Cu/Epoxy Interface Enhancement with Benzenethiol Promoter -- Molecular Dynamics Simulation of Pore Formation Mechanism for Deposition of Poly (vinylidene fluoride-co-trifluoroethylene) on Gold Substrate -- Investigating the Influence of Moisture by Molecular Dynamics Simulations -- Analysis of the Adhesion Work with a Molecular Modeling Method and a Wetting Angle Measurement -- Using Coarse-Grained Molecular Models (Molecular-Mesocale) of a Copper Oxide-Epoxy Interface to Obtain Stress-Strain Failure Predictions which Include Interfacial Roughness, Water and Filler Effects -- Establishment of the Mesoscale Parameters for Separation: A Non-Equilibrium Molecular Dynamics Model -- Mechanics of Graphene and Carbon Nanotubes under Uniaxial Compression and Tension -- Analysis of an Influence of a Conversion Level on Simulation Results of the Crosslinked Polymers.…”
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Frontiers and progress of current soft matter research by SpringerLink (Online service)

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Polymer thermodynamics : liquid polymer-containing mixtures by SpringerLink (Online service)

Contents: “…Computer Simulations and Coarse-Grained Molecular Models Predicting the Equation of State of Polymer Solutions /…”
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Molecular simulation studies on thermophysical properties : with application to working fluids by Raabe, Gabriele

Contents: “…Introduction -- Introduction to Statistical Mechanics -- Monte Carlo Simulations -- Molecular Dynamics Simulations -- Running Molecular Simulations -- Molecular Models (Force Fields) -- Thermophysical and Structural Properties from Molecular Simulation -- Applications of Molecular Simulations to Studies on Working Fluids -- Conclusion and Outlook -- A Force Field Parameters.…”
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Density functional theory : modeling, mathematical analysis, computational methods and applications by SpringerLink (Online service)

“…Mathematics and Molecular Modeling.…”
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Calorimetry and thermal methods in catalysis by SpringerLink (Online service)

Contents: “…Adsorption Microcalorimetry, IR Spectroscopy and Molecular Modelling in Surface Studies /…”
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Orbital tumors : diagnosis and treatment by SpringerLink (Online service)

Contents: “…Molecular models of cancer development --…”
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Distance geometry : theory, methods, and applications by SpringerLink (Online service)

Contents: “…Spheres Unions and Intersections and Some of their Applications in Molecular Modeling /…”
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Drug design : methodology, concepts, and mode-of-action by Klebe, Gerhard

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Continuous media with microstructure by SpringerLink (Online service)

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