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gptkbp:instanceOf
|
gptkb:academic
|
|
gptkbp:fieldOfStudy
|
chemistry
quantum mechanics
|
|
gptkbp:focusesOn
|
chemical bonding
spectroscopy
reaction dynamics
electronic structure of atoms and molecules
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|
gptkbp:hasApplication
|
gptkb:nanotechnology
catalysis
materials science
spectroscopy
drug design
|
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gptkbp:hasConcept
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gptkb:Pauli_exclusion_principle
gptkb:Slater_determinant
gptkb:meat
gptkb:Born-Oppenheimer_approximation
electron correlation
entanglement
eigenvalue problem
quantization
superposition
wave function
spin
basis set
molecular orbital
potential energy surface
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|
gptkbp:hasMethod
|
gptkb:Coupled_cluster_theory
gptkb:Density_Functional_Theory
gptkb:Møller–Plesset_perturbation_theory
gptkb:Schrödinger_equation
gptkb:Configuration_Interaction
gptkb:Quantum_Monte_Carlo
gptkb:Hartree-Fock_method
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Quantum Chemistry
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|
gptkbp:notableFigure
|
gptkb:Fritz_London
gptkb:John_Pople
gptkb:Linus_Pauling
gptkb:Walter_Heitler
gptkb:Roald_Hoffmann
|
|
gptkbp:notablePublication
|
gptkb:Journal_of_Chemical_Physics
gptkb:Journal_of_Physical_Chemistry
gptkb:Chemical_Physics_Letters
gptkb:International_Journal_of_Quantum_Chemistry
gptkb:Theoretical_Chemistry_Accounts
|
|
gptkbp:originatedIn
|
1920s
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|
gptkbp:parentField
|
chemistry
physics
|
|
gptkbp:relatedTo
|
molecular physics
physical chemistry
theoretical chemistry
|
|
gptkbp:studies
|
application of quantum mechanics to chemical systems
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|
gptkbp:uses
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computational chemistry software
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gptkbp:bfsParent
|
gptkb:Henry_Eyring
|
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gptkbp:bfsLayer
|
5
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