{"text_format":"2","workbook":"xls","n_sheets":1,"sheets":["report2"],"not_rendered":{"charts":0,"images":0,"macros":0,"external_links":1,"defined_names":1,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"run_cost":"one","rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"report2","index":0,"n_rows":23,"n_cols":5,"rows_kept":23,"cut":false,"hidden":false,"merged":[[0,2,0,3],[0,4,0,5],[1,2,1,3],[1,4,1,5],[2,2,2,3],[3,2,3,3],[8,2,8,3],[9,2,9,3],[10,2,10,3],[11,2,11,3],[13,2,13,3],[14,2,14,3],[18,2,18,3]],"flags":["formulas_cached_only"]}
[null,"1.","Record Nr.",null,"UNINA9910143983903321"]
[null,null,"Titolo",null,"Multiscale simulation methods for nanomaterials [[electronic resource] /] / edited by Richard B. Ross, Sanat Mohanty"]
[null,null,"Pubbl/distr/stampa",null,"Hoboken, N.J., : Wiley-Interscience, c2008"]
[null,null,"ISBN",null,"1-281-20384-X"]
[{"$nulls":4},"9786611203849"]
[{"$nulls":4},"0-470-19167-8"]
[{"$nulls":4},"1-61583-173-8"]
[{"$nulls":4},"0-470-19166-X"]
[null,null,"Descrizione fisica",null,"1 online resource (300 p.)"]
[null,null,"Classificazione",null,"UM 6000"]
[null,null,"Disciplina",null,"620.1/1"]
[null,null,"Soggetti",null,"Molecular electronics - Simulation methods"]
[{"$nulls":4},"Nanotechnology"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Description based upon print version of record."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references and index."]
[null,null,"Nota di contenuto",null,"MULTISCALE SIMULATION METHODS FOR NANOMATERIALS; CONTENTS; Contributors; Preface; 1 Overview of Multiscale Simulation Methods for Materials; 2 Influence of Water and Fatty Acid Molecules on Quantum Photoinduced Electron Tunneling in Self-Assembled Photosynthetic Centers of Minimal Protocells; 3 Optimizing the Electronic Properties of Carbon Nanotubes Using Amphoteric Doping; 4 Using Order and Nanoconfinement to Tailor Semiconducting Polymers: A Combined Experimental and Multiscale Computational Study; 5 Coarse Grained-to-Atomistic Mapping Algorithm: A Tool for Multiscale Simulations"]
[{"$nulls":4},"6 Microscopic Insights into the Dynamics of Protein-Solvent Mixtures7 Mesoscale Simulations of Surface-Modified Nanospheres in Solvents; 8 Fixing Interatomic Potentials Using Multiscale Modeling: Ad Hoc Schemes for Coupling Atomic and Continuum Simulations; 9 Fully Analytic Implementation of Density Functional Theory for Efficient Calculations on Large Molecules; 10 Aluminum Nanoparticles: Accurate Potential Energy Functions and Physical Properties; 11 Large-Scale Monte Carlo Simulations for Aggregation, Self-Assembly, and Phase Equilibria"]
[{"$nulls":4},"12 New QM/MM Models for Multiscale Simulation of Phosphoryl Transfer Reactions in Solution13 Modeling the Thermal Decomposition of Large Molecules and Nanostructures; 14 Predicting Dynamic "]
[{"$nulls":4},"Mesoscale Structure of Commercially Relevant Surfactant Solutions; Index"]
[null,null,null,"Sommario/riassunto","This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alte"]