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Computational chemistry
Results: 1931

#	Item
271	In relentless pursuit of accuracy Lead Finder vUser Guide Add to Reading List Source URL: www.moltech.ru Language: English - Date: 2015-02-03 11:30:33 Bioinformatics Molecular modelling Drug discovery Protein structure Computational chemistry Docking Lead Finder Virtual screening Finder Chemistry Science Biology
272	Marcus Elstner Full Professor. Theoretical Chemistry. Born 1966; Diploma in Physics 1993 TU Berlin; Doctoral Degree 1998; Postdoc 1999 Harvard University; Habilitation in Theoretical Physics 2003 University Add to Reading List Source URL: www.chem-bio.kit.edu Language: English - Date: 2014-06-26 09:27:33 Computational chemistry Force field Density functional theory QM/MM Chemistry Physics Molecular modelling
273	AN INTRODUCTION TO MCSCF: PART 2 ORBITAL APPROXIMATION Ψh p = ψ 1(1)ψ2(2)…ψN(N) Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:45 Computational chemistry Theoretical chemistry Atomic physics Quantum mechanics Multi-configurational self-consistent field Slater determinant Hartree–Fock method Atomic orbital Wave function Chemistry Physics Quantum chemistry
274	Microsoft Word - CM1405-e.docx Add to Reading List Source URL: w3.cost.eu Language: English - Date: 2014-11-23 12:05:12 Theoretical chemistry Royal Society Computational chemistry Molecular dynamics Molecular modelling Spectroscopy Quantum chemistry Quantum mechanics Biophysics Science Chemistry Physics
275	MoDock: A multi-objective strategy improves the accuracy for molecular docking Add to Reading List Source URL: www.almob.org Language: English Bioinformatics Computational chemistry Protein structure Drug discovery Docking Root-mean-square deviation DOCK Virtual screening Protein–ligand docking Chemistry Science Molecular modelling
276	A Chemometrics Study of Antimicrobial Activity in Garlic Extract Olivia Erin M. Buenafe Fabian M. Dayrit Add to Reading List Source URL: www.camo.com Language: English - Date: 2010-07-12 07:10:35 Spectroscopy Computational chemistry Regression analysis Allium Garlic Chemometrics Principal component regression Nuclear magnetic resonance Principal component analysis Statistics Chemistry Science
277	MOLECULAR PHYSICS, 2000, VOL. 98, NO. 16, 1043 ± 1050 Reminiscences at the end of the Century CHARLOTTE FROESE FISCHER Department of Computer Science, Vanderbilt University, Nashville, TN 37235, USA I was born on 21 Se Add to Reading List Source URL: www.vuse.vanderbilt.edu Language: English - Date: 2000-09-24 12:44:22 Theoretical chemistry Douglas Hartree Computational chemistry Quantum chemistry Charlotte Froese Fischer Bertha Swirles John C. Slater Density functional theory Ralph H. Fowler Chemistry Science Fellows of the Royal Society
278	Research OpportunitiesProf John Blacker Prof. John Blacker ; Dr Bao Nguyen; Dr Natalie Fey; Dr Stefan Auer This project is co-sponsored by AstraZeneca and the PhD position is currently avai Add to Reading List Source URL: www.chem.leeds.ac.uk Language: English - Date: 2015-04-14 08:25:15 Solubility Medicinal chemistry Cheminformatics Computational chemistry Chemical substance Quantitative structure–activity relationship Chemistry Science Solutions
279	Electronic Structure of Materials Cesare Franchini Computational Materials Physics April 15, 2015 Add to Reading List Source URL: homepage.univie.ac.at Language: English - Date: 2015-04-21 02:58:41 Greek alphabet Computational chemistry Theoretical chemistry Quantum mechanics Diaeresis Electron Hamiltonian Physics Chemistry Quantum chemistry
280	AJO MGMS Lecture Tour Poster Add to Reading List Source URL: www.mgms.org Language: English - Date: 2014-03-24 07:40:46 Molecular biology Applied mathematics Computational chemistry Molecular graphics Visualization Molecular modelling Science Biology Bioinformatics

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