عنوان

Applications of molecular modeling to challenges in clean energy

(Number (ISBN

0841228205 (alkaline paper)

(Number (ISBN

0841228213 (electronic bk.)

(Number (ISBN

9780841228207 (alkaline paper)

(Number (ISBN

9780841228214 (electronic bk.)

Number

dltt

Title Proper

Applications of molecular modeling to challenges in clean energy

General Material Designation

[Book]

First Statement of Responsibility

George Fitzgerald, editor, Niranjan Govind, editor ; sponsored by the ACS Division of Computers in Chemistry.

Place of Publication, Distribution, etc.

Washington, DC :

Name of Publisher, Distributor, etc.

American Chemical Society,

Date of Publication, Distribution, etc.

c2013.

Specific Material Designation and Extent of Item

1 online resource (xi, 245 pages) :

Other Physical Details

illustrations (some color).

Series Title

ACS symposium series ;

Volume Designation

1133.

Text of Note

Includes bibliographical references and index.

Text of Note

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.

0

Source for Acquisition/Subscription Address

American Chemical Society

Stock Number

9780841228214

Title

Applications of molecular modeling to challenges in clean energy

International Standard Book Number

9780841228207

Renewable energy sources-- Computer simulation, Congresses.

Renewable energy sources-- Molecular aspects, Congresses.

Renewable energy sources-- Research, Congresses.

Number

Edition

Class number

Book number

Fitzgerald, George Benedict

Govind, Niranjan

American Chemical Society., Division of Computers in Chemistry,sponsoring body.

Date of Transaction

20150927114853.9

Electronic name

[Book]

Y