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Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2010
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A chemists's guide to density functional theory /
Koch, Wolfram
2001
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Understanding molecular simulation : from algorithms to applications /
Frenkel, Daan
2002
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Material Type
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Type of Literature
Handbook, Textbook
1
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IEK-13
IFF
ZB
IAS-9
1
IBI-7
1
JSC
1
Name
Frenkel, Daan
1
Holthausen, Max C.
1
Hutter, Jürg
1
Koch, Wolfram
1
Marx, Dominik
1
Smit, Berend
1
Subject
ab initio calculation
1
computer simulation
1
density functional theory
1
electronic structure
1
molecular
1
molecular dynamics calculation
1
more ...
quantum chemistry
1
simulation
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Classification
010 - Simulation Science (textbook)
2
CAN - Chemistry - mathematical methods, computer applications
1
CHN - Quantum chemistry
1
CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
1
MWG - Simulation, Monte Carlo method, random numbers
1
Language
English
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