| LIBRARY OF CONGRESS CONTROL NUMBER |
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| LC control number |
2013016570 |
| INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9780841228207 (alkaline paper) |
| DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Call number |
621.0420154122 AP PL |
| TITLE STATEMENT |
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| Title |
Applications of molecular modeling to challenges in clean energy |
| Statement of responsibility, etc |
Edited by George Fitzgerald, Niranjan Govind |
| PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Place of publication |
Washington, DC : |
| Publisher |
American Chemical Society, |
| Date |
2013. |
| PHYSICAL DESCRIPTION |
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| Extent |
xi, 245 p. ; |
| Size |
22 cm. |
| SERIES STATEMENT |
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| Series statement |
ACS symposium series ; |
| Volume number |
1133 |
| CONTENTS |
|---|
| Contents |
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. |
| SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical Heading |
Renewable energy sources |
| Geographic |
Congresses |
| -- |
Research |
| SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical Heading |
Renewable energy sources |
| Geographic |
Congresses |
| SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical Heading |
Renewable energy sources |
| Geographic |
Computer simulation |
| -- |
Congresses |
| ADDED ENTRY |
|---|
| Name |
Fitzgerald, George Benedict |
| ADDED ENTRY |
|---|
| Name |
Govind, Niranjan, |
| Role |
Edited by |
| ELECTRONIC LOCATION AND ACCESS |
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| Uniform Resource Identifier |
https://uowd.box.com/s/kbsdyd76sdsk3rrwfgox3bfp3s5f24aj |
| Public note |
Location Map |
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13961 |
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13962 |
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13963 |
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12782 |
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12783 |