Prof. Carles Bo

Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants

Petrus, E.; Bo, C.

COVER J. Phys. Chem. A 2021, 125 (23), 5212–5219, DOI: 10.1021/acs.jpca.1c03292.
Rationalizing the Mechanism of Peroxyformate Decomposition: Computational Insights to Understand Solvent Influence

Garay-Ruíz, D.; Bo, C.

GO TO OPEN ACCESS Chem. Eur. J. 2021, 27 (45), 11618-11626, DOI: 10.1002/chem.202100755.
Human-Readable SMILES: Translating Cheminformatics to Chemistry

Garay-Ruiz, D.; Bo, C.

ChemRxiv 2021, DOI: 10.26434/chemrxiv.14230034.v1.
Testing automatic methods to predict free binding energy of host–guest complexes in SAMPL7 challenge

Serillon, D.; Bo, C.; & Barril, X.

J Comput Aided Mol Des 2021, 35, 209–222, DOI: 10.1007/s10822-020-00370-6.