E-LIB Suche - Ergebnisse für: Meana-Paneda, Ruben

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/..

2

Small, solubilized platinum nanocrystals consist of an orde..:

Wietfeldt, Henry ; Meana-Pañeda, Rubén ; Machello, Chiara...
Communications Chemistry. 7 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

3

Small, solubilized platinum nanocrystals consist of an orde..:

Park, Jungwon ; Elmlund, Hans ; Wietfeldt, Henry...
qt53n496zv. , 2024

Link: https://escholarship.org..

4

Small, solubilized platinum nanocrystals consist of an orde..:

Wietfeldt, Henry ; Meana-Pañeda, Rubén ; Machello, Chiara...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10764312/. , 2024

Link: http://www.ncbi.nlm.nih...

5

Small, solubilized platinum nanocrystals consist of an orde..:

Henry Wietfeldt ; Rubén Meana-Pañeda ; Chiara Machello...
https://doi.org/10.1038/s42004-023-01087-x. , 2024

Link: https://doi.org/10.1038/..

6

Polyrate 2023: A Computer Program for the Calculation of Ch..:

Meana-Pañeda, Rubén ; Zheng, Jingjing ; Bao, Junwei Lucas...
doi:10.5281/zenodo.8213312. , 2023

Link: https://zenodo.org/recor..

7

Polyrate 2023: A Computer Program for the Calculation of Ch..:

Meana-Pañeda, Rubén ; Zheng, Jingjing ; Bao, Junwei Lucas...
doi:10.5281/zenodo.8213312. , 2023

Link: https://zenodo.org/recor..

8

ANT 2023: A Program for Adiabatic and Nonadiabatic Trajecto..:

Yinan Shu ; Linyao Zhang ; Jingjing Zheng...
doi:10.5281/zenodo.7807406. , 2023

Link: https://zenodo.org/recor..

9

Obtaining QM/MM binding free energies in the SAMPL8 drugs o..:

Hudson, Phillip S. ; Aviat, Félix ; Meana-Pañeda, Rubén...
Journal of Computer-Aided Molecular Design. 36 (2022) 4 - p. 263-277 , 2022

Link: https://doi.org/10.1007/..

10

Erratum: "Potential energy surface of triplet N2O2" [J. Che..:

Varga, Zoltan ; Meana-Pañeda, Rubén ; Song, Guoliang..
The Journal of Chemical Physics. 157 (2022) 23 - p. , 2022

Link: https://doi.org/10.1063/..

11

Obtaining QM/MM binding free energies in the SAMPL8 drugs o..:

Hudson, Phillip S ; Aviat, Félix ; Meana-Pañeda, Rubén...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9148874/. , 2022

Link: http://www.ncbi.nlm.nih...

12

A replica exchange umbrella sampling (REUS) approach to pre..:

Ghorbani, Mahdi ; Hudson, Phillip S. ; Jones, Michael R....
Journal of Computer-Aided Molecular Design. 35 (2021) 5 - p. 667-677 , 2021

Link: https://doi.org/10.1007/..

13

A replica exchange umbrella sampling (REUS) approach to pre..:

Ghorbani, Mahdi ; Hudson, Phillip S ; Jones, Michael R...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8131287/. , 2021

Link: http://www.ncbi.nlm.nih...

14

Direct diabatization and analytic representation of coupled..:

Shu, Yinan ; Kryven, Joanna ; Sampaio de Oliveira-Filho, Antonio Gustavo...
The Journal of Chemical Physics. 151 (2019) 10 - p. , 2019

Link: https://doi.org/10.1063/..

15

Computational Kinetics by Variational Transition-State Theo..:

Meana-Pañeda, Rubén ; Xu, Xuefei ; Ma, He.
The Journal of Physical Chemistry A. 121 (2017) 8 - p. 1693-1707 , 2017

Link: https://doi.org/10.1021/..