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Computational chemistry
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#	Item
91	CS681: Advanced Topics in Computational Biology Week 3, Lecture 1 Can Alkan EA224 Add to Reading List Source URL: www.cs.bilkent.edu.tr Language: English - Date: 2012-02-22 07:40:17 Biology Molecular biology Biochemistry Chemistry DNA sequencing Sanger sequencing Sequencing DNA microarray Massive parallel sequencing MaxamGilbert sequencing
92	Quantitative Biology Core The Quantitative Biology Core focuses on advancing the analysis of the environmental impact on living organisms, from genotype to phenotype. Core members have many years of experience with a ran Add to Reading List Source URL: cerhgenomics.tamu.edu Language: English - Date: 2014-12-10 22:57:46 Bioinformatics Molecular biology Biology Chemistry Polymerase chain reaction Laboratory techniques Nature Genomics Biostatistics Real-time polymerase chain reaction Gene expression Computational biology
93	CH+5: The neverending story or the final word? Peter R. Schreiner, SeungJoon Kim, Henry F. Schaefer, and Paul von Ragué Schleyer Citation: J. Chem. Phys. 99, ); doi: View online: http://dx.doi Add to Reading List Source URL: wwwuser.gwdg.de Language: English Chemistry Post-HartreeFock methods Computational chemistry Theoretical chemistry Coupled cluster Quadratic configuration interaction Ab initio quantum chemistry methods Davidson correction Configuration interaction Molecular vibration
94	Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2009-04-01 07:43:53 Chemistry Theoretical chemistry Computational chemistry Ab initio quantum chemistry methods Molecular dynamics Path integral molecular dynamics Spartan PQS
95	Eur. Phys. J. E: 127 DOIepje/i2015y THE EUROPEAN PHYSICAL JOURNAL E Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2016-05-10 04:34:19 Surface science Intermolecular forces Fluid mechanics Fluid dynamics Computational chemistry Hydrophobe Wetting No-slip condition Surface tension Molecular dynamics Contact angle Liquid
96	Introduction of Computers in Chemical Structure Information Systems ■ Chemical Informatics Add to Reading List Source URL: asis.org Language: English - Date: 2014-07-19 18:49:27 Chemical nomenclature Cheminformatics Computational chemistry American Chemical Society Notation Chemical Abstracts Service CAS Registry Number Chemical substance Line notation Peter Willett Simplified molecular-input line-entry system CSA Trust
97	22.6. Adaptively biased MD, steered MD, and umbrella sampling with REMDAnalyzing multi-dimensional replica exchange simulations The REMD log file for each dimension is further divided into the log messages for Add to Reading List Source URL: ambermd.org Language: English - Date: 2016-08-18 09:53:04 Computational chemistry Molecular dynamics Theoretical chemistry Local Elevation Metadynamics Xi Umbrella sampling Identical particles
98	An enhanced version of the heat exchange algorithm with excellent energy conservation properties An enhanced version of the heat exchange algorithm with excellent energy conservation properties Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2015-11-19 09:54:49 Computational chemistry Heat transfer Computational physics Heat conduction Thermal conductivity Constraint algorithm Molecular dynamics
99	Computational Science and Engineering (Int. Master’s Program) Technische Universität München Master’s Thesis Add to Reading List Source URL: www5.in.tum.de Language: English Computational chemistry Molecular modelling Intermolecular forces Computational physics Theoretical chemistry Molecular dynamics Ewald summation Particle Mesh Van der Waals force Molecular mechanics
100	FAKULTÄT FÜR CHEMIE Einladung zum Vortrag von ___________________________________________________________________ Ass.-Prof. Dipl.-Chem. Dr. Christian Schröder Add to Reading List Source URL: chemie.univie.ac.at Language: English - Date: 2016-04-01 12:57:39 Solutions Computational chemistry Molecular modelling Physical chemistry Ions Ionic liquid Solvation Molecular dynamics Solvent Implicit solvation Solvent models

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