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ab initio calculation
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ab initio calculation
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1
Book
Ideas of quantum chemistry. 2. Interactions /
Piela, Lucjan
2020
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“
...
molecular
orbital
...
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2
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Reviews in computational chemistry /
Lipkowitz, Kenny B.
1990
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...
molecular
orbital
theory...
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3
Book
Molecular wave functions : symposium on molecular wave functions : London, 12.12.68-13.12.68
1968
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...
molecular
orbital
...
”
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3
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Book
3
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Conference Publication
1
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ZB
3
Name
Boyd, Donald B.
1
Lipkowitz, Kenny B.
1
Piela, Lucjan
1
Subject
ab initio calculation
molecular orbital
2
Dirac equation
1
Hartree Fock method
1
approximation
1
atomic orbital
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biomolecule
1
chemical properties
1
chemical reaction
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computational chemistry
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computer simulation
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correlation
1
design
1
dynamics
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electric field
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electron density
1
electron distribution
1
electronic properties
1
electronic structure
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interaction
1
intermolecular forces
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magnetic field
1
modeling
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molecular interaction
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molecular orbital theory
1
periodic system
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pesticide
1
quantum chemistry
1
quantum mechanics
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Classification
CAN - Chemistry - mathematical methods, computer applications
1
CHN - Quantum chemistry
1
CHNK - Quantum chemistry - special aspects
1
PBA - Quantum theory
1
Language
English
2
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