Practical Aspects of Computational Chemistry V
portes grátis
Practical Aspects of Computational Chemistry V
Leszczynski, Jerzy; Shukla, Manoj K.
Springer Nature Switzerland AG
10/2021
290
Dura
Inglês
9783030832438
15 a 20 dias
617
Descrição não disponível.
Introductory Roadmap to Current Reactive Force-field Methodologies.- Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry.- First-Principles Modeling of Non-Covalent Interactions in Molecular Systems and Extended Materials.- DNA Damage Radiosensitizers Geared Towards Hydrated Electrons.- Application of Computational Chemistry for Contaminant Adsorption on the Components of Soil Surfaces.- Application of Computational Approaches to Analysis of Multistep Chemical Reactions of Energetic Materials: Hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).- Dataset Modelability by QSAR: Continuous Response Variable.- A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles.
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computational chemistry;computational materials science;computational modeling nanomaterials;molecular structure;electron correlated methods;materials modeling;molecular simulations;molecular dynamics;multiscale modeling;electronic structure methods
Introductory Roadmap to Current Reactive Force-field Methodologies.- Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry.- First-Principles Modeling of Non-Covalent Interactions in Molecular Systems and Extended Materials.- DNA Damage Radiosensitizers Geared Towards Hydrated Electrons.- Application of Computational Chemistry for Contaminant Adsorption on the Components of Soil Surfaces.- Application of Computational Approaches to Analysis of Multistep Chemical Reactions of Energetic Materials: Hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).- Dataset Modelability by QSAR: Continuous Response Variable.- A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
