Materias dentro de su búsqueda.
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Calculations
Electronic density of states
4
Ab initio calculations
2
Approximation theory
2
Atoms
2
B3LYP
2
Binary electron contribution
2
Carboxamide
2
Carboxamides
2
Cluster calculations
2
Co-operative effects
2
Continuum distorted wave eikonal initial state
2
Crystal structure
2
Cyclohexane
2
DFT
2
Electron-density topology
2
Electronic structure
2
Energy gap
2
Ground state
2
Hartree-Fock methodologies
2
Helium
2
Hemoglobin
2
Hexane
2
Hydrogen bond interaction
2
Hydrogen bonds
2
IR and Raman spectroscopy
2
IR spectroscopy
2
Infrared spectroscopy
2
Intermolecular interactions
2
Ion atom collisions
2
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1Publicado 1997Materias: “...Electronic density of states...”
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2
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3Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methodspor Estrin, Dario ArielMaterias: “...Electronic density of states...”
Publicado 2002
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4Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methodsMaterias: “...Electronic density of states...”
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5Publicado 2018Materias: “...Electron-density topology...”
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6Materias: “...Electron-density topology...”
JOUR