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Computational chemistry
Results: 1931

#	Item
631	Time-dependent density functional theory for open systems with a positivitypreserving decomposition scheme for environment spectral functions RuLin Wang, Xiao Zheng, YanHo Kwok, Hang Xie, GuanHua Chen, and ChiYung Yam Ci Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2015-04-21 18:39:15 Computational chemistry Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Relaxation Graphene Chemistry Physics Quantum mechanics
632	PHYSICAL REVIEW B 76, 045114 共2007兲 Linear scaling time-dependent density-functional tight-binding method for absorption spectra of large systems Fan Wang, Chi Yung Yam, and GuanHua Chen* Department of Chemistry, Th Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational chemistry Quantum chemistry Theoretical chemistry Matrix theory Numerical linear algebra Matrix Time-dependent density functional theory Eigenvalues and eigenvectors Diagonalizable matrix Algebra Mathematics Linear algebra
633	32ème forum ORAP F R O M R E S E AR C H T O I N D U S T R Y 10 octobre 2013 – Maison de la Simulation, Saclay, France ELECTRONIC STRUCTURE CALCULATIONS Add to Reading List Source URL: www.irisa.fr Language: English - Date: 2013-10-14 08:00:36 Theoretical chemistry Quantum chemistry Computational chemistry Computational physics Kohn–Sham equations Schrödinger equation Electron Eigenvalues and eigenvectors Time-dependent density functional theory Physics Chemistry Density functional theory
634	Prof. Jim Chelikowsky Tex Moncrief Chair of Computational Materials Add to Reading List Source URL: www.che.utexas.edu Language: English - Date: 2015-03-26 12:04:42 Building engineering Materials science Carbon nanotube Zinc oxide NanoWorld Doping Chemistry Emerging technologies Ultraviolet radiation
635	Chemical Physics Letters–130 www.elsevier.com/locate/cplett Neural network correction for heats of formation with a larger experimental training set and new descriptors Xue-Mei Duan a, Zhen-Hua Li a,b, G Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:09 Computational chemistry Density functional theory Hybrid functional Basis set Quantum chemistry composite methods Chemistry Theoretical chemistry Quantum chemistry
636	PDF Document Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-09-01 06:04:46 Computational physics Quantum chemistry Theoretical chemistry Density functional theory Time-dependent density functional theory Hartree–Fock method Matrix Chemistry Physics Computational chemistry
637	THE JOURNAL OF CHEMICAL PHYSICS 135, Time-dependent density functional theory based Ehrenfest dynamics Fan Wang,1,2 Chi Yung Yam,2 LiHong Hu,2,3 and GuanHua Chen2,a) 1 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-11-17 00:30:44 Theoretical chemistry Computational chemistry Computational physics Atomic physics Time-dependent density functional theory Hartree–Fock method Density functional theory Molecular dynamics Matrix Chemistry Physics Quantum chemistry
638	PHYSICAL REVIEW B 83, Time-dependent versus static quantum transport simulations beyond linear response ChiYung Yam,1,2 Xiao Zheng,1 GuanHua Chen,1 Yong Wang,2 Thomas Frauenheim,2 and Thomas A. Niehaus3,* Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-08-31 09:30:33 Computational chemistry Time-dependent density functional theory Chemistry Physics Density functional theory
639	Robust Particle Systems for Curvature Dependent Sampling of Implicit Surfaces Miriah D. Meyer School of Computing University of Utah Add to Reading List Source URL: www.cs.utah.edu Language: English - Date: 2011-07-06 13:55:23 Molecular dynamics Molecular modelling Science Colloidal chemistry Statistical mechanics Computational fluid dynamics Brownian motion Scattering cross-section Physics Chemistry Computational chemistry
640	Newsletter to CAMO Software AS shareholders Q4 2014 Last known share price = NOK 0.55 per share CAMO Software AS develops and sells multivariate data analysis (MVA) software and solutions. MVA is a statistical technology Add to Reading List Source URL: www.camo.com Language: English - Date: 2015-03-05 07:21:54 Spectroscopy The Unscrambler Revenue recognition Earnings before interest taxes depreciation and amortization Business Generally Accepted Accounting Principles Finance Computational chemistry

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