عنوان

Applications of molecular modeling to challenges in clean energy

شابک

0841228205 (alkaline paper)

شابک

0841228213 (electronic bk.)

شابک

9780841228207 (alkaline paper)

شابک

9780841228214 (electronic bk.)

شماره

dltt

عنوان اصلي

Applications of molecular modeling to challenges in clean energy

نام عام مواد

[Book]

نام نخستين پديدآور

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

محل نشرو پخش و غیره

Washington, DC :

نام ناشر، پخش کننده و غيره

American Chemical Society,

تاریخ نشرو بخش و غیره

c2013.

نام خاص و کميت اثر

1 online resource (xi, 245 pages) :

ساير جزييات

illustrations (some color).

عنوان فروست

ACS symposium series ;

مشخصه جلد

1133.

متن يادداشت

Includes bibliographical references and index.

متن يادداشت

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.

بدون عنوان

0

منبع سفارش / آدرس اشتراک

American Chemical Society

شماره انبار

9780841228214

عنوان

Applications of molecular modeling to challenges in clean energy

شماره استاندارد بين المللي کتاب و موسيقي

9780841228207

موضوع مستند نشده

Renewable energy sources-- Computer simulation, Congresses.

موضوع مستند نشده

Renewable energy sources-- Molecular aspects, Congresses.

موضوع مستند نشده

Renewable energy sources-- Research, Congresses.

شماره

ويراست

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

Fitzgerald, George Benedict

مستند نام اشخاص تاييد نشده

Govind, Niranjan

مستند نام تنالگان تاييد نشده

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

تاريخ عمليات

20150927114853.9

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y