Carles Bo

According to our database, Carles Bo authored at least 7 papers between 1996 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

POMSimulator: An open-source tool for predicting the aqueous speciation and self-assembly mechanisms of polyoxometalates.

Enric Petrus, Jordi Buils, Diego Garay-Ruiz, Mireia Segado-Centellas, Carles Bo

J. Comput. Chem., 2024

2022

Chemical reaction network knowledge graphs: the OntoRXN ontology.

Diego Garay-Ruiz, Carles Bo

J. Cheminformatics, 2022

2021

Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge.

Dylan Serillon, Carles Bo, Xavier Barril

J. Comput. Aided Mol. Des., 2021

2020

Performance of group additivity methods for predicting the stability of uranyl complexes.

Enric Petrus, Carles Bo

J. Comput. Chem., 2020

2015

Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform.

M. Álvarez-Moreno, Coen de Graaf, N. López, Feliu Maseras, Josep M. Poblet, Carles Bo

J. Chem. Inf. Model., 2015

2007

New Quantum Mechanics-Based Three-Dimensional Molecular Descriptors for Use in QSSR Approaches: Application to Asymmetric Catalysis.

Manuel Urbano-Cuadrado, Jorge J. Carbó, Ana G. Maldonado, Carles Bo

J. Chem. Inf. Model., 2007

1996

Relative stability of the 3A2, 1A2, and 1A1 states of phenylnitrene: A difference-dedicated configuration interaction calculation.

O. Castell, V. M. García, Carles Bo, Rosa Caballol

J. Comput. Chem., 1996