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1	Theoretical Study of Hydrogen @ Carbon Nanotubes and Nanoscrolls George E. Froudakis Assistant Professor Dept. of Chemistry Add to Reading List Source URL: www.iphe.net Language: English - Date: 2011-02-16 17:21:52 Energy Carbon nanotube ONIOM Hydrogen Hydride Chemistry Emerging technologies Technology
2	More quantum chemistry with BOINC Martin Korth Theory of Condensed Matter group, Cavendish Laboratory University of Cambridge The 6th BOINC Workshop — [removed] Add to Reading List Source URL: boinc.berkeley.edu Language: English - Date: 2010-09-02 04:26:29 Theoretical chemistry QM/MM Hartree–Fock method Ab initio quantum chemistry methods Density functional theory Quantum chemistry ONIOM Chemistry Computational chemistry Science
3	A Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic Beta Zeolite: An ONIOM Study with a Newly Developed Density Functional Theory Chawanwit Kumsapaya a,b, Karan Bobuatong a,b, Add to Reading List Source URL: www.nsti.org Language: English - Date: 2014-06-04 17:46:18 Zeolites Hydrogenation Chemistry Chemical engineering ZSM-5
4	Gaussian 09 Revision C.01 Release Notes 28 September 2011 Contents Features and Usage Notes: Rev C.01....................................................................................................................... Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Theoretical chemistry Computational physics Molecular modelling Gaussian Hartree–Fock method ONIOM Density functional theory Molecular mechanics Time-dependent density functional theory Chemistry Computational chemistry Quantum chemistry
5	Gaussian 09 Revision B.01 Release Notes Contents Feature and Usage Notes: Rev B ............................................................................................................................................ Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Computational chemistry Quantum chemistry Theoretical chemistry Density functional theory Computational physics Gaussian Hartree–Fock method ONIOM Hybrid functional Chemistry Physics Science
6	MECHANISTIC MODEL OF HYDROCARBON EPOXIDATION The researchers are using kinetics and quantum mechanical calculations to elucidate the catalytic reaction mechanism of hydrocarbon epoxidation. Principal Investigators: Linda Add to Reading List Source URL: www.mccormick.northwestern.edu Language: English - Date: 2014-08-18 18:10:30 Quantum chemistry Catalysis Benzene Density functional theory Chemical kinetics Chemistry Computational chemistry ONIOM