Gregori Ujaque

According to our database, Gregori Ujaque authored at least 4 papers between 2003 and 2021.

Collaborative distances:

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

2021

Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12- Supramolecular Organometallic Cage.

Gantulga Norjmaa, Pietro Vidossich, Jean-Didier Maréchal, Gregori Ujaque

J. Chem. Inf. Model., 2021

2019

GARLEEK: Adding an extra flavor to ONIOM.

Jaime Rodríguez-Guerra Pedregal, Ignacio Funes-Ardoiz, Giuseppe Sciortino, José-Emilio Sánchez-Aparicio, Gregori Ujaque, Agustí Lledós, Jean-Didier Maréchal, Feliu Maseras

J. Comput. Chem., 2019

2006

QM/QM study of the coverage effects on the adsorption of amino-cyclopentene at the Si(100) surface.

Hugo R. R. Santos, Gregori Ujaque, Maria João Ramos, José A. N. F. Gomes

J. Comput. Chem., 2006

2003

Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole.

Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, Kendall N. Houk, Kinya Hotta, Donald Hilvert

J. Comput. Chem., 2003