Computational chemistry - PDFSEARCH.IO - Document Search Engine

Computational chemistry
Results: 1931

#	Item
201	Acceleration of computational quantum chemistry by AVX + CUDA on heterogeneous computer architectures Yuki Furukawa, Ryota Koga : X-Ability Co.,Ltd. Koji Yasuda : Nagoya University Background Add to Reading List Source URL: x-ability.jp Language: English
202	Alberto Sicilia Centre for Computational Chemistry. Department of Chemistry, University of Cambridge. Lesfield Road, Cambridge CB2 1EW, UK. Spanish Citizen Add to Reading List Source URL: www.principiamarsupia.com Language: English - Date: 2012-07-06 05:03:42
203	Paul von Ragué SchleyerAn IAQMS member, Prof. Paul von Ragué Schleyer, passed away on November 20 at the age of 84. He was a giant in both experimental and computational physical organic/main group chemistry Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2014-11-30 22:14:48
204	359 Charge, hydrophobicity, and confined water: putting past simulations into a simple theoretical framework1 Add to Reading List Source URL: www.englandlab.com Language: English - Date: 2011-07-05 13:34:58 Computational chemistry Molecular modelling Proteins Hydrophobic effect Protein folding Hydrophobe Implicit solvation GroEL Hydrophobic collapse Chemistry Protein structure Intermolecular forces
205	Advanced Scientific Computing Research FY 2004 Accomplishment Scientific Application Prototype Project Fundamental Algorithms for Advanced Applications in Science and Technology-Low Separation Rank Approximations for Add to Reading List Source URL: www.csm.ornl.gov Language: English - Date: 2006-06-16 09:46:25 Computational science Theoretical chemistry Numerical analysis Computational physics Partial differential equations Computational electromagnetics Computational chemistry Algorithm Wavelet Science Chemistry Mathematics
206	Published on WebAre 1,5-Disubstituted Semibullvalenes that Have C2v Equilibrium Geometries Necessarily Bishomoaromatic? Eric C. Brown,* Daven K. Henze, and Weston Thatcher Borden Contribution from the Depart Add to Reading List Source URL: adjoint.colorado.edu Language: English - Date: 2004-10-13 15:35:33 Computational chemistry Theoretical chemistry Molecular physics Multi-configurational self-consistent field MOLCAS Molecular orbital Electronic correlation Hybrid functional Bond-dissociation energy Chemistry Quantum chemistry Chemical bonding
207	April 2013 Issue No.3 NEWSLETTER OF RIKEN Quantitative Biology Center QBiTs Inside this issue Add to Reading List Source URL: www.qbic.riken.jp Language: English - Date: 2013-04-17 03:41:58 Computational chemistry Molecular dynamics Molecular modelling
208	Development of Multiscale Models for Complex Chemical Systems: From H+H2 to Biomolecules (Nobel Lecture) Add to Reading List Source URL: chemie.univie.ac.at Language: English - Date: 2015-05-06 03:53:16 Force fields Proteins Theoretical chemistry Martin Karplus Molecular dynamics Aprotinin Arieh Warshel Kinesin AMBER Chemistry Molecular modelling Computational chemistry
209	High Performance Computing II Lecture 3 Topic 2: Molecular Dynamics of Lennard-Jones System Molecular Dynamics (MD) is widely used to simulate many particle systems ranging Add to Reading List Source URL: www.physics.buffalo.edu Language: English - Date: 2014-03-25 12:14:11 Science Computational chemistry Molecular dynamics Verlet integration Equipartition theorem Dynamical system Lennard-Jones potential Thermodynamic temperature Thermodynamic system Chemistry Thermodynamics Physics
210	cv_vega_april_2014_english_2.dvi Add to Reading List Source URL: catalan.quim.ucm.es Language: English - Date: 2014-04-08 10:57:24 Computational chemistry Chemical engineering Thermodynamics Equilibrium chemistry Gases Equation of state Molecular dynamics Vapor–liquid equilibrium Entropy Chemistry Physics Matter

UPDATE