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1
Book
Molecular simulations : fundamentals and practice /
Alavi, Saman
2020
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Quantum
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2
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Molecular modeling and theory in chemical engineering /
Chakraborty, Arup
2001
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3
Book
Mathematical models and methods for ab initio quantum chemistry /
Defranceschi, M.
2000
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CHN
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Quantum
chemistry
...
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3
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3
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ZB
3
Name
Alavi, Saman
1
Chakraborty, Arup
1
Defranceschi, M.
1
Le Bris, C.
1
Subject
Monte Carlo method
molecular dynamics
2
quantum chemistry
2
simulation
2
statistical mechanics
2
Born approximation
1
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Schroedinger equation
1
ab initio calculation
1
copolymer
1
fluctuation
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interaction
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intermolecular forces
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molecular dynamics calculation
1
molecular interaction
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molecular modeling
1
molecular science
1
molecule
1
nanostructured material
1
porous material
1
probability theory
1
quantum mechanics
1
relativistic quantum mechanics
1
structural analysis
1
structure
1
thermodynamic properties
1
zeolite
1
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Classification
CHN - Quantum chemistry
3
CHJ - Molecular physics, molecular structure
2
CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
1
CWG - Principles of chemical engineering
1
MWG - Simulation, Monte Carlo method, random numbers
1
MWH - Statistics
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PCC - Quantum statistics, many particle problems
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