Theoretical chemistry

Results: 969



#Item
581Chemistry / Theoretical chemistry / Chemist

TOP-PUNT Grant Guidelines to the grant application[removed]General  Please refer to the Call for Proposals TOP-PUNT-subsidies[removed]for the Terms and Conditions of this granting scheme. The Call for Proposals ca

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Source URL: www.nwo.nl

Language: English - Date: 2014-07-21 11:14:29
582Molecular modelling / Theoretical chemistry / Molecular biology / Intermolecular forces / Molecular dynamics / Fragment molecular orbital / Force field / Crystal / Monte Carlo method / Chemistry / Science / Computational chemistry

Microsoft Word - 18_COMP_S.doc

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Source URL: oldwww.acscomp.org

Language: English - Date: 2011-07-01 06:30:54
583Coupled cluster / Basis set / Density functional theory / Chemistry / Theoretical chemistry / Computational chemistry

THE JOURNAL OF CHEMICAL PHYSICS 123, 084314 共2005兲 A hierarchical family of three-dimensional potential energy surfaces for He-CO Kirk A. Petersona兲 Department of Chemistry, Washington State University, Pullman, W

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Source URL: faculty.gvsu.edu

Language: English - Date: 2013-11-26 13:46:48
584Atomic physics / Quantum chemistry / Theoretical chemistry / Electron configuration / Noble gas / Chemical element / Chemistry / Periodic table / Chemical properties

PDF Document

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Source URL: www.doe.virginia.gov

Language: English - Date: 2011-12-06 11:12:38
585Theoretical chemistry / Molecular modelling / Force field / Molecular dynamics / Docking / Crystal / Drug design / NWChem / Ab initio quantum chemistry methods / Chemistry / Science / Computational chemistry

Program Report http://oasys.acs.org/acs/230nm/comp/programs/programreport.cgi?p... Emma M. Ortega, Jose L. Guinon, Jose Garcia-Anton, and Valentin Perez-Herranz, Departamento de Ingenieria Quimica y Nuclear, Universidad

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Source URL: oldwww.acscomp.org

Language: English - Date: 2011-07-01 06:30:52
586X-ray reflectivity / Gloss / Reflectivity / Scattering / Reflection / Specular reflection / X-ray scattering techniques / Refractive index / Transfer-matrix method / Physics / Optics / Geometrical optics

X-Ray and Neutron Reflectivity for the Investigation of Thin Films – A Short Tutorial – Frank Schreiber, Alexander Gerlach, Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford O

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Source URL: neutrons.ornl.gov

Language: English - Date: 2012-02-02 12:42:59
587Computational chemistry / Astrophysics / Atomic physics / Mathematical physics / Theoretical chemistry / Dirac / Perturbation theory / Many-body problem / Energy level / Physics / Chemistry / Science

”High Accuracy Atomic Physics in Astronomy”, IP/ITAMP workshop, August 7-9, 2006, The Harvard-Smithsonian Center for Astrophysics, Cambridge, MA, in honor of Prof. Micheal J. Seaton Analysis of Fe XVI Spectra : Atomi

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Source URL: www.cfa.harvard.edu

Language: English - Date: 2006-07-19 17:00:30
588Renner–Teller effect / Coprecipitation / Coordination complex / Theoretical oxygen demand / Chemistry / Spectroscopy / Interstellar nitrogen monohydride

THE JOURNAL OF CHEMICAL PHYSICS 126, 034304 共2007兲 Exploring Renner-Teller induced quenching in the reaction H„ 2S… + NH„a 1⌬…: A combined experimental and theoretical study L. Adam and W. Hacka兲 Max-Pla

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Source URL: faculty.gvsu.edu

Language: English - Date: 2013-11-26 13:46:38
589Molecular modelling / Theoretical computer science / Lydia Kavraki / Year of birth missing / Drug discovery / Medicinal chemistry / Motion planning / Docking / Molecule / Science / Chemistry / Applied mathematics

Short (and non-comprehensive) Description of Research Activities Lydia E. Kavraki May 2011 In robotics, Kavraki has developed a very successful method for finding collision free paths for complex and highly articulated r

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Source URL: www.cs.rice.edu

Language: English - Date: 2012-05-09 12:00:30
590Chemistry / Theoretical chemistry / Chemist

TOP-PUNT Grant Guidelines to the grant application[removed]General  Please refer to the Call for Proposals TOP-PUNT-subsidies[removed]for the Terms and Conditions of this granting scheme. The Call for Proposals ca

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Source URL: www.nwo.nl

Language: English - Date: 2014-07-21 11:13:48
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