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1
Book
Multiscale simulation methods in molecular sciences : winter school, 2 - 6 March 2009, Forschungszentrum Jülich, Germany : lecture notes /
Grotendorst, Johannes
2009
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...
Hartree
Fock
method
...
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2
Book
Density functional theory of atoms and molecules.
Parr, R. G.
1989
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3
Book
Chemical applications of atomic and molecular electrostatic potentials : reactivity, structure, scattering, and energetics of organic, inorganic, and biological systems /
Politzer, Peter.
1981
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...
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3
Material Type
Book
3
Type of Literature
Conference Publication
2
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ZB
3
Name
Grotendorst, Johannes
1
Parr, R. G.
1
Politzer, Peter.
1
Truhlar, Donald G.
1
Yang, W.
1
Subject
Hartree Fock method
3
Schroedinger equation
Monte Carlo method
1
biomolecule
1
chemical potential
1
density functional theory
1
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electron diffraction
1
electron scattering
1
electronic structure
1
electrostatics
1
hydrogen bond
1
molecular interaction
1
molecular science
1
molecular structure
1
parallel computing
1
potential theory
1
quantum chemistry
1
reactivity
1
simulation
1
wavelet
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Classification
CHN - Quantum chemistry
2
CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
1
MSD - Mathematical methods in physics
1
MSH - Mathematical methods in life sciences
1
Language
English
2
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