Applications of molecular modeling to challenges in clean energy
Title By: Fitzgerald, George Benedict | Govind, Niranjan [Edited by]
Material type:
BookSeries: ACS symposium series ; 1133.Publisher: Washington, DC : American Chemical Society, 2013.Description: xi, 245 p. ; 22 cm.ISBN: 9780841228207 (alkaline paper)Subject(s): Renewable energy sources -- Congresses -- Research | Renewable energy sources -- Congresses | Renewable energy sources -- Computer simulation -- CongressesDDC classification: 621.0420154122 AP PL Online resources: Location Map
| Item type | Home library | Call number | Status | Date due | Barcode | Item holds |
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| REGULAR | University of Wollongong in Dubai Main Collection | 621.0420154122 AP PL (Browse shelf) | Available | T0058592 |
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| 621.042 PA AD Advances in renewable energy research | 621.042 SU SU Sustainable power technologies and infrastructure : | 621.042 US EL Electrical power engineering : | 621.0420154122 AP PL Applications of molecular modeling to challenges in clean energy | 621.042028553 PO WE The power grid : | 621.3 BE EL Electricity matters : | 621.3 CH EL Electrical Engineering |
Includes bibliographical references and index.
Molecular dynamics simulation of free energy of desorption of cellohexaose from a cellulose crystal surface -- Ionic liquids for carbon capture : solubility computation using an implicit solvent model -- Density functional simulations as a tool to probe molecular interactions in wet supercritical CO2 -- Characterization of CO2 behavior on rutile TiO2 (110) surface -- Periodic trends in 3d metal mediated CO2 activation -- Bio-inspired molecular catalysts for hydrogen oxidation and hydrogen production -- Molecular modeling aspects of exploring silica properties -- Understanding electrocatalytic activity enhancement of bimetallic particles to ethanol electro-oxidation : ethanol adsorption and decomposition on PtnM (n=6 and 9; M=Pt, Ru, and Sn) -- Combining vibrational spectroscopies with quantum chemical calculations for molecular-level understanding of reaction mechanisms on catalytic surfaces -- Challenges and development of a multi-scale computational model for photosystem I decoupled energy conversion -- Computational studies of the oxygen-evolving complex of photosystem II and biomimetic oxomanganese complexes for renewable energy applications -- Atomic-level modeling of organic electrolytes in lithium-ion batteries.