Gregori Ujaque

Publication Activity (10 Years)

Years Active: 2003-2021
Publications (10 Years): 2

Top Topics

Modeling Method

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Gantulga Norjmaa, Pietro Vidossich, Jean-Didier Maréchal, Gregori Ujaque
Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12- Supramolecular Organometallic Cage. J. Chem. Inf. Model. 61 (9) (2021)
Jaime Rodríguez-Guerra Pedregal, Ignacio Funes-Ardoiz, Giuseppe Sciortino, José-Emilio Sánchez-Aparicio, Gregori Ujaque, Agustí Lledós, Jean-Didier Maréchal, Feliu Maseras
GARLEEK: Adding an extra flavor to ONIOM. J. Comput. Chem. 40 (2) (2019)
Hugo R. R. Santos, Gregori Ujaque, Maria João Ramos, José A. N. F. Gomes
QM/QM study of the coverage effects on the adsorption of amino-cyclopentene at the Si(100) surface. J. Comput. Chem. 27 (15) (2006)
Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, K. N. Houk, Kinya Hotta, Donald Hilvert
Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. J. Comput. Chem. 24 (1) (2003)