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Density functional theory
Electronic structure
8
Natural bond orbital analysis
8
Antioxidants
7
Atoms in molecules
7
Molecular orbitals
6
Absorption spectroscopy
4
Aqueous solvent effect
4
Covalently bonded
4
Molecular polarizability
4
PCM model
4
Photoelectron spectroscopy
4
Polarization modulation infrared reflection absorption spectroscopy
4
Scanning tunneling microscopy
4
Self assembled monolayers
4
article
4
carbon nuclear magnetic resonance
4
chemical structure
4
proton nuclear magnetic resonance
4
(4α→6″, 2α → O → 1″)-phenylflavans
2
(4α→6″, 2α→O→1″)- phenylflavans
2
Adsorption
2
Ammoxidation reactions
2
Atoms
2
Au(111) surfaces
2
Binding energy
2
Bipyridine ligands
2
Bond dissociation enthalpies
2
Catechin
2
Chalcogen
2
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1por Guzmán Arellano, Robert M.Materias: “...Spin-orbit coupling...”
Publicado 2018
Tesis NonPeerReviewed -
2Materias: “...Highest occupied molecular orbitals...”
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3Materias: “...Highest occupied molecular orbitals...”
JOUR -
4Publicado 2015Materias: “...Orbitals...”
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5Materias: “...Orbitals...”
JOUR -
6por Lobayan, Rosana M., Pérez Schmit, María C., Jubert, Alicia Haydeé, Vitale, Arturo AlbertoMaterias: “...Natural bond orbital analysis...”
Publicado 2012
Aportado por: SEDICI (UNLP)Articulo -
7por Lobayan, Rosana M., Jubert, Alicia Haydeé, Vitale, Martín Gustavo, Pomilio, Alicia BeatrizMaterias: “...Natural bond orbital analysis...”
Publicado 2008
Aportado por: SEDICI (UNLP)Articulo -
8Publicado 2015Materias: “...Molecular orbitals...”
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9Materias: “...Molecular orbitals...”
JOUR -
10
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11Materias: “...Natural bond orbital analysis...”
JOUR -
12
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13Materias: “...Natural bond orbital analysis...”
JOUR -
14
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15Materias: “...Natural bond orbitals analyses...”
JOUR -
16
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17
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18Publicado 2014Materias: “...Molecular orbitals...”
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19Materias: “...Molecular orbitals...”
JOUR -
20