Electron density

Results: 235



#Item
91Science / Protein structure / Non-parametric statistics / Quantum chemistry / X-ray crystallography / Histogram / Electron density / Electron / Physics / Chemistry / Crystallography

Automation of Structure Determination by Macromolecular Crystallography Tom Terwilliger

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Source URL: www.phenix-online.org

Language: English - Date: 2011-02-10 12:07:49
92Theoretical 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

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

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Source URL: www.irisa.fr

Language: English - Date: 2013-10-14 08:00:36
93Quantum chemistry / Theoretical chemistry / Charge carriers / Quantum mechanics / Electron / Kohn–Sham equations / Runge–Gross theorem / Time-dependent density functional theory / Octopus / Physics / Chemistry / Density functional theory

Chapter 2 Quantum Transport Simulations Based on Time Dependent Density Functional Theory Thomas A. Niehaus and GuanHua Chen

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Source URL: yangtze.hku.hk

Language: English - Date: 2012-10-15 23:42:18
94Spintronics / Chemistry / Exciton / Quantum electronics / Quantum dot / Density functional theory / Delocalized electron / Physics / Condensed matter physics / Quasiparticles

THE UNIVERSITY OF HONG KONG Department of Chemistry and Strategic Theme on Computational Sciences JOINT SEMINAR Multiscale Modeling of

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Source URL: yangtze.hku.hk

Language: English - Date: 2009-06-02 23:52:00
95Quantum mechanics / Density functional theory / Physical quantity / Electron density / Relaxation / Time-dependent density functional theory / Physics / Chemistry / Quantum chemistry

First-Principles Method for Open Electronic Systems Xiao Zheng and GuanHua Chen∗ Department of Chemistry, The University of Hong Kong, Hong Kong, China (Dated: September 29, arXiv:physicsv1 4 Feb 2005

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:05
96Science / Computational chemistry / Quantum chemistry / Computational physics / Theoretical chemistry / Crystal / Local-density approximation / Time-dependent density functional theory / Octopus / Chemistry / Physics / Density functional theory

Max Planck Institute of Microstructure Physics Theory Department Development of the Elk LAPW Code J.K. Dewhurst, S. Sharma Elk is an all-electron full-potential linearised augmented plane-wave (LAPW) code for

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Source URL: www2.mpi-halle.mpg.de

Language: English - Date: 2011-11-07 04:21:53
97Electromagnetic radiation / Radio spectrum / Electrical phenomena / Plasma physics / Atmosphere / Ionosphere / Radio propagation / Very low frequency / Earth–ionosphere waveguide / Physics / Space plasmas / Electromagnetism

Earth Planets Space, 61, 905–911, 2009 Nighttime D-region equivalent electron density determined from tweek sferics observed in the South Pacific Region Sushil Kumar1 , Anil Deo2 , and V. Ramachandran1 1 School

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Source URL: wwlln.net

Language: English - Date: 2009-10-29 21:03:07
98Density functional theory / Quantum chemistry / Theoretical chemistry / Time-dependent density functional theory / Quantum dot / Electron / Laser / Carbon nanotube / Anthony E. Siegman / Physics / Chemistry / Emerging technologies

Max Planck Institute for Microstructure Physics Theory Department ANALYSIS AND CONTROL OF ELECTRON DYNAMICS K. Krieger, M. Hellgren, M. Odashima, D. Nitsche, A. Castañeda Medina In the mid eighties, Runge and Gross dev

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Source URL: www2.mpi-halle.mpg.de

Language: English - Date: 2011-11-03 04:26:30
99Quantum chemistry / Atomic physics / Carbon nanotube / Charge carriers / Electronic band structure / Atomic orbital / Electron / Crystal / Density of states / Physics / Chemistry / Carbon nanotubes

APPLIED PHYSICS LETTERS VOLUME 85, NUMBER 19 8 NOVEMBER 2004

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:05
100Chemical bond / Electron density / Electrophile / VSEPR theory / Electron / Borane / Molecule / Orbital hybridisation / Molecular graphics / Chemistry / Quantum chemistry / Physics

Molecular Modeling in Undergraduate Chemistry Education Warren J. Hehre Wavefunction, Inc.

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Source URL: www.ch.ic.ac.uk

Language: English - Date: 2006-08-25 06:22:21
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