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_c33184 _d33184 |
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| 001 | 17759060 | ||
| 010 | _a 2013016570 | ||
| 020 | _a9780841228207 (alkaline paper) | ||
| 040 | _aDLC | ||
| 082 | 0 | 0 | _a621.0420154122 AP PL |
| 245 | 0 | 0 |
_aApplications of molecular modeling to challenges in clean energy _cEdited by George Fitzgerald, Niranjan Govind |
| 260 |
_aWashington, DC : _bAmerican Chemical Society, _c2013. |
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| 300 |
_axi, 245 p. ; _c22 cm. |
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| 490 | 0 |
_aACS symposium series ; _v1133 |
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| 504 | _aIncludes bibliographical references and index. | ||
| 505 | 0 | _aMolecular 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. | |
| 650 | 0 |
_aRenewable energy sources _vCongresses _vResearch _913961 |
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| 650 | 0 |
_aRenewable energy sources _vCongresses _913962 |
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| 650 | 0 |
_aRenewable energy sources _vComputer simulation _vCongresses _913963 |
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| 700 | 1 |
_aFitzgerald, George Benedict _912782 |
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| 700 | 1 |
_aGovind, Niranjan, _eEdited by _912783 |
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| 856 |
_uhttps://uowd.box.com/s/kbsdyd76sdsk3rrwfgox3bfp3s5f24aj _zLocation Map |
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| 942 | _cREGULAR | ||