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ab initio calculation
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1
Book
Chemical reactions : basic theory and computing /
Laganà , Antonio
2019
Subject (ZB):
“
...
molecular
dynamics
...
”
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2
Book
Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2012
Subject (ZB):
“
...
molecular
dynamics
calculation...
”
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3
Book
Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2010
Subject (ZB):
“
...
molecular
dynamics
calculation...
”
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4
E-Book
Ab Initio Molecular Dynamics [E-Book] : Basic Theory and Advanced Methods /
Hutter, Jürg.
2009
Subject (ZB):
“
...
Molecular
dynamics
-- Computer simulation....
”
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5
Book
Molecular modelling : principles and applications /
Leach, Andrew R.
2001
Subject (ZB):
“
...
molecular
dynamics
calculation...
”
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6
E-Book
Die Projector Augmented Wave-Methode : ein schnelles Allelektronenverfahren fir die ab-initio-Molekulardynamik [E-Book] /
Kromen, Winfried
2001
Subject (ZB):
“
...
molecular
dynamics
calculation...
”
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7
Book
Molecular modelling : principles and applications /
Leach, Andrew R.
1996
Subject (ZB):
“
...
molecular
dynamics
calculation...
”
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Available as
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5
Electronic Edition
2
Material Type
Book
7
Type of Literature
Handbook, Textbook
1
Theses
1
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ZB
4
ER-C-3
1
IAS-9
1
IBG-1
1
IBI-7
1
IET-3
1
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IFF
1
JSC
1
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Name
Hutter, Jürg
2
Leach, Andrew R.
2
Marx, Dominik
2
Hutter, Jürg.
1
Kromen, Winfried
1
Laganà , Antonio
1
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Marx, Dominik.
1
Parker, Gregory A.
1
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Subject
ab initio calculation
molecular dynamics calculation
6
computer simulation
5
Monte Carlo method
2
conformational analysis
2
molecular modeling
2
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Molecular dynamics -- Computer simulation.
1
Schroedinger equation
1
chemical reaction
1
collision
1
computational chemistry
1
computer application
1
density functional theory
1
kinetics
1
many body problem
1
molecular dynamics
1
molecule collision
1
protein folding
1
protein structure
1
quantum chemistry
1
quantum mechanics
1
reaction kinetics
1
reaction mechanism
1
two body problem
1
wave equation
1
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Classification
CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
3
010 - Simulation Science (textbook)
2
CHJ - Molecular physics, molecular structure
2
LAN - Biology - mathematical methods, statistics
2
MSH - Mathematical methods in life sciences
2
CAN - Chemistry - mathematical methods, computer applications
1
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CELM - Reaction kinetics of organic compounds
1
CLA - Reaction kinetics
1
CWKC - Chemical reaction engineering
1
FANE - Computational solid state physics
1
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Language
English
4
German
1
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