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Computational chemistry
Results: 1931

#	Item
461	COMMUNICATIONS IN COMPUTATIONAL PHYSICS Vol. 1, No. 1, ppCommun. Comput. Phys. February 2006 Add to Reading List Source URL: www.phy.cuhk.edu.hk Language: English - Date: 2006-04-28 22:43:01 Quantum chemistry Numerical linear algebra Theoretical physics Mathematical physics Density matrix renormalization group Hubbard model Krylov subspace Quantum Monte Carlo Heisenberg model Physics Algebra Statistical mechanics
462	About us Help Contact us Feedback Sitemap Home Current issue Past issues Add to Reading List Source URL: www.esm.psu.edu Language: English - Date: 2010-09-13 18:29:25 Molecular modelling Bioactive glass Isotropy Site map Chemistry Computational chemistry Molecular dynamics
463	THE JOURNAL OF CHEMICAL PHYSICS 133, s2010d Time-dependent density functional theory for quantum transport Xiao Zheng,1,2 GuanHua Chen,2,3,4,a! Yan Mo,1,2,5 SiuKong Koo,2 Heng Tian,2 ChiYung Yam,2 and YiJing Yan1 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational physics Computational chemistry Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Electronic band structure Types of radio emissions ABO blood group system Chemistry Physics Science
464	PHARMAS Ecological and human health risk assessments of antibiotics and anticancer drugs found in the environment Contract n° Operative commencement date of the project: January 1st 2011 Final date of the project Add to Reading List Source URL: www.pharmas-eu.net Language: English - Date: 2014-06-19 16:50:57 Otologicals Computational chemistry Ciprofloxacin Cyclopropanes DNA gyrase Biodegradation Quantitative structure–activity relationship Pefloxacin Chemical substance Chemistry Piperazines Medicinal chemistry
465	Early Experiences Scaling VMD Molecular Visualization and Analysis Jobs on Blue Waters John E. Stone, Barry Isralewitz, Klaus Schulten Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2013-10-18 12:01:40 Visual Molecular Dynamics Molecular modelling NAMD Computational chemistry Beckman Institute University of Illinois at Urbana–Champaign Urbana Illinois Molecular dynamics Bioinformatics Science Champaign County Illinois Application software
466	Pushing the Boundaries of High-Performance Computing Supercomputers model and simulate complex, dynamic systems that are impractical—or impossible—to demonstrate physically. Supercomputers are changing the way scient Add to Reading List Source URL: www.pnnl.gov Language: English - Date: 2015-04-03 15:06:01 Molecular modelling Cluster computing Concurrent computing Supercomputer High-performance computing Molecular dynamics Petascale Distributed European Infrastructure for Supercomputing Applications FLOPS Computing Parallel computing Computational chemistry
467	PhD Project in Chemistry Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK Project Title: Applications of Spin-Coupled Valence Bond Theory to Chemical Structure and Reactivity Supervisor Name: D Add to Reading List Source URL: www.york.ac.uk Language: English - Date: 2015-03-03 06:02:59 Chemical bonding Quantum chemistry Modern valence bond theory Valence bond theory Chemical bond Ab initio quantum chemistry methods Reactivity GAMESS ACES Chemistry Computational chemistry Theoretical chemistry
468	CCCMa Model Development ~CMIP5 Model Suite – carbon cycle – strat/trop chemistry CMIP5 Add to Reading List Source URL: www.wcrp-climate.org Language: English - Date: 2014-11-03 11:10:45 Climate forcing Computational science Global climate model Global warming Honda P series CCCma Madden–Julian oscillation Atmospheric sciences Meteorology Climatology
469	Unscrambler® X Prediction Engine Installation Manual Version 10.3 CAMO SOFTWARE AS Nedre Vollgate 8, N-0158, Oslo, NORWAY Add to Reading List Source URL: www.camo.com Language: English - Date: 2013-07-05 08:51:58 Statistics Mac OS X Multivariate statistics Computational chemistry Spectroscopy The Unscrambler Multivariate analysis Installation Mac OS X Panther System software Software Installation software
470	CASE STUDY 14 CRYOPRESERVATION FOR BOTANIC SPECIMENS R E S E A R C H E R Add to Reading List Source URL: www.ivec.org Language: English - Date: 2013-02-17 22:33:39 Nitrogen Molecular modelling Cryopreservation Molecular dynamics Simulation Supercomputer Liquid nitrogen Cryogenics Chemistry Computational chemistry Matter

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