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Fernández-Ramos, Antonio
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1

Polyrate 2023: A computer program for the calculation of ch..:

Meana-Pañeda, Rubén ; Zheng, Jingjing ; Bao, Junwei Lucas...
Computer Physics Communications.  294 (2024)  - p. 108933 , 2024
Link: https://doi.org/10.1016/..
 
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2

Unraveling the Catalytic Mechanism of β-Cyclodextrin in the..:

Ferro-Costas, David ; Sánchez-Murcia, Pedro A. ; Fernández-Ramos, Antonio
Journal of Chemical Information and Modeling.  64 (2024)  9 - p. 3865-3873 , 2024
Link: https://doi.org/10.1021/..
 
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3

Effect of temperature on the gas-phase reaction of CH3CN wi..:

González, Daniel ; Canosa, André ; Martínez-Núñez, Emilio...
Physical Chemistry Chemical Physics.  26 (2024)  4 - p. 3632-3646 , 2024
Link: https://doi.org/10.1039/..
 
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4

Combined DFT and Kinetic Monte Carlo Study of UiO-66 Cataly..:

Le, Thanh-Hiep Thi ; Ferro-Costas, David ; Fernández-Ramos, Antonio.
The Journal of Physical Chemistry C.  128 (2024)  3 - p. 1049-1057 , 2024
Link: https://doi.org/10.1021/..
 
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5

Equilibrium structures of selenium compounds: The torsional..:

Li, Wenqin ; Saragi, Rizalina Tama ; Juanes, Marcos...
The Journal of Chemical Physics.  159 (2023)  2 - p. , 2023
Link: https://doi.org/10.1063/..
 
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6

New computational tools for chemical kinetics: the Cathedra..:

Ferro-Costas, David ; Fernández-Ramos, Antonio
Theoretical Chemistry Accounts.  142 (2023)  8 - p. , 2023
Link: https://doi.org/10.1007/..
 
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7

Revealing Internal Rotation and 14N Nuclear Quadrupole Coup..:

Baweja, Shefali ; Antonelli, Eleonore ; Hussain, Safia...
Molecules.  28 (2023)  5 - p. 2153 , 2023
Link: https://doi.org/10.3390/..
 
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8

Gas-phase formation of glycolonitrile in the interstellar m..:

Guerrero-Méndez, Luis ; Lema-Saavedra, Anxo ; Jiménez, Elena..
Physical Chemistry Chemical Physics.  25 (2023)  31 - p. 20988-20996 , 2023
Link: https://doi.org/10.1039/..
 
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9

Reaction of OH radicals with CH3NH2 in the gas phase: exper..:

González, Daniel ; Lema-Saavedra, Anxo ; Espinosa, Sara...
Physical Chemistry Chemical Physics.  24 (2022)  38 - p. 23593-23601 , 2022
Link: https://doi.org/10.1039/..
 
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10

An integrated protocol to study hydrogen abstraction reacti..:

Ferro-Costas, David ; Cordeiro, M. Natália D. S. ; Fernández-Ramos, Antonio
Physical Chemistry Chemical Physics.  24 (2022)  5 - p. 3043-3058 , 2022
Link: https://doi.org/10.1039/..
 
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11

Correction: An integrated protocol to study hydrogen abstra..:

Ferro-Costas, David ; Cordeiro, M. Natália D. S. ; Fernández-Ramos, Antonio
Physical Chemistry Chemical Physics.  24 (2022)  7 - p. 4683-4683 , 2022
Link: https://doi.org/10.1039/..
 
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12

TorsiFlex: an automatic generator of torsional conformers. ..:

Ferro-Costas, David ; Mosquera-Lois, Irea ; Fernández-Ramos, Antonio
Journal of Cheminformatics.  13 (2021)  1 - p. , 2021
Link: https://doi.org/10.1186/..
 
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13

Role of Microsolvation and Quantum Effects in the Accurate ..:

Kannath, Suraj ; Adamczyk, Paweł ; Ferro-Costas, David...
Journal of Chemical Theory and Computation.  16 (2020)  2 - p. 847-859 , 2020
Link: https://doi.org/10.1021/..
 
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14

A Combined Systematic-Stochastic Algorithm for the Conforma..:

Ferro-Costas, David ; Fernández-Ramos, Antonio
Frontiers in Chemistry.  8 (2020)  - p. , 2020
Link: https://doi.org/10.3389/..
 
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15

Chemical reactivity from the vibrational ground-state level..:

Mosquera-Lois, Irea ; Ferro-Costas, David ; Fernández-Ramos, Antonio
Physical Chemistry Chemical Physics.  22 (2020)  43 - p. 24951-24963 , 2020
Link: https://doi.org/10.1039/..
 
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