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Costales, Aurora
87  Ergebnisse:
Personensuche X
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1

Does Aromaticity Play a Role in Electronic and Structural P..:

Gallegos, Miguel ; Guevara-Vela, José Manuel ; Costales, Aurora..
ChemPhysChem.  , 2024
Link: https://doi.org/10.1002/..
 
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2

Atoms in molecules in real space: a fertile field for chemi..:

Martín Pendás, Ángel ; Francisco, Evelio ; Suárez, Dimas...
Physical Chemistry Chemical Physics.  25 (2023)  15 - p. 10231-10262 , 2023
Link: https://doi.org/10.1039/..
 
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3

Does Steric Hindrance Actually Govern the Competition betwe..:

Gallegos, Miguel ; Costales, Aurora ; Martín Pendás, Ángel
The Journal of Physical Chemistry A.  126 (2022)  11 - p. 1871-1880 , 2022
Link: https://doi.org/10.1021/..
 
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4

A real space picture of the role of steric effects inSN2rea..:

Gallegos, Miguel ; Costales, Aurora ; Martín Pendás, Ángel
Journal of Computational Chemistry.  43 (2022)  11 - p. 785-795 , 2022
Link: https://doi.org/10.1002/..
 
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5

Energetic Descriptors of Steric Hindrance in Real Space: An..:

Gallegos, Miguel ; Costales, Aurora ; Pendás, Ángel Martín
ChemPhysChem.  22 (2021)  8 - p. 775-787 , 2021
Link: https://doi.org/10.1002/..
 
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6

The nature of the intermolecular interaction in (H2X)2(X = ..:

Fernández-Alarcón, Alberto ; Guevara-Vela, José Manuel ; Casals-Sainz, José Luis...
Physical Chemistry Chemical Physics.  23 (2021)  16 - p. 10097-10107 , 2021
Link: https://doi.org/10.1039/..
 
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7

On the Relationship between Hydrogen Bond Strength and the ..:

Guevara-Vela, José Manuel ; Gallegos, Miguel ; Valentín-Rodríguez, Mónica A....
Molecules.  26 (2021)  14 - p. 4196 , 2021
Link: https://doi.org/10.3390/..
 
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8

Lewis Structures from Open Quantum Systems Natural Orbitals..:

Francisco, Evelio ; Costales, Aurora ; Menéndez-Herrero, María.
The Journal of Physical Chemistry A.  125 (2021)  18 - p. 4013-4025 , 2021
Link: https://doi.org/10.1021/..
 
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9

Photochemistry in Real Space: Batho‐ and Hypsochromism in t..:

Fernández‐Alarcón, Alberto ; Guevara‐Vela, José Manuel ; Casals‐Sainz, José Luis...
Chemistry – A European Journal.  26 (2020)  71 - p. 17035-17045 , 2020
Link: https://doi.org/10.1002/..
 
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10

Front Cover: Photochemistry in Real Space: Batho‐ and Hypso..:

Fernández‐Alarcón, Alberto ; Guevara‐Vela, José Manuel ; Casals‐Sainz, José Luis...
Chemistry – A European Journal.  26 (2020)  71 - p. 16947-16947 , 2020
Link: https://doi.org/10.1002/..
 
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11

Photochemistry in Real Space: Batho‐ and Hypsochromism in t..:

Fernández‐Alarcón, Alberto ; Guevara‐Vela, José Manuel ; Casals‐Sainz, José Luis...
Chemistry – A European Journal.  26 (2020)  71 - p. 16951-16951 , 2020
Link: https://doi.org/10.1002/..
 
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12

Bond Order Densities in Real Space:

Casals-Sainz, José Luis ; Fernández-Alarcón, A. ; Francisco, Evelio..
The Journal of Physical Chemistry A.  124 (2019)  2 - p. 339-352 , 2019
Link: https://doi.org/10.1021/..
 
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13

Partition of electronic excitation energies: the IQA/EOM-CC..:

Fernández-Alarcón, Alberto ; Casals-Sainz, José Luis ; Guevara-Vela, José Manuel...
Physical Chemistry Chemical Physics.  21 (2019)  25 - p. 13428-13439 , 2019
Link: https://doi.org/10.1039/..
 
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14

Mimicking Enzymes: Asymmetric Induction inside a Carbamate–..:

Concellón, Carmen ; Martín, Judith ; Gallegos, Miguel...
Organic Letters.  21 (2019)  11 - p. 3994-3997 , 2019
Link: https://doi.org/10.1021/..
 
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15

On the impact of a phosphoryl group in the recognition capa..:

Gallegos, Miguel ; Gil-Guerrero, Sara ; Fernández-Alarcón, A....
Theoretical Chemistry Accounts.  138 (2019)  9 - p. , 2019
Link: https://doi.org/10.1007/..
 
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