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Ferro-Costas, D.
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1

Reply to the 'Comment on "Methanol dimer formation drastica..:

Siebrand, W. ; Smedarchina, Z. ; Ferro-Costas, D...
Physical Chemistry Chemical Physics.  20 (2018)  12 - p. 8355-8357 , 2018
Link: https://doi.org/10.1039/..
 
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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

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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4

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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5

Perfusion-weighted software written in Python for DSC-MRI a..:

Fernández-Rodicio, Sabela ; Ferro-Costas, Gonzalo ; Sampedro-Viana, Ana...
Frontiers in Neuroinformatics.  17 (2023)  - p. , 2023
Link: https://doi.org/10.3389/..
 
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6

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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7

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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8

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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9

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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10

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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11

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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12

Pilgrim: A thermal rate constant calculator and a chemical ..:

Ferro-Costas, David ; Truhlar, Donald G. ; Fernández-Ramos, Antonio
Computer Physics Communications.  256 (2020)  - p. 107457 , 2020
Link: https://doi.org/10.1016/..
 
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13

Influence of Multiple Conformations and Paths on Rate Const..:

Ferro-Costas, David ; Martínez-Núñez, Emilio ; Rodríguez-Otero, Jesús...
The Journal of Physical Chemistry A.  122 (2018)  21 - p. 4790-4800 , 2018
Link: https://doi.org/10.1021/..
 
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14

Q2DTor: A program to treat torsional anharmonicity through ..:

Ferro-Costas, David ; Cordeiro, M. Natália D.S. ; Truhlar, Donald G..
Computer Physics Communications.  232 (2018)  - p. 190-205 , 2018
Link: https://doi.org/10.1016/..
 
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15

Resonance assisted electron transport in oligophenyl conduc..:

Ramos-Berdullas, Nicolás ; Ferro-Costas, David ; Mandado, Marcos
Computational and Theoretical Chemistry.  1053 (2015)  - p. 263-269 , 2015
Link: https://doi.org/10.1016/..
 
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