Theoretical Chemical Physics

FACULTY

Albeiro's webpage

Albeiro Restrepo

Cacier Hadad

Group Contact

Química-Física Teórica

Instituto de Química

Universidad de Antioquia

A.A. 1226 Medellín

Colombia

E-mail: Group's e-mail

Welcome to our homepage

This page is undergoing a serious overhaul. What you see is not the final product, we will fix it soon

Welcome to the webpage of the Theoretical Chemical Physics Group at the Chemistry Institute, Universidad de Antioquia. Feel free to navigate our webpage to learn about us and our research.

We use the methods and tools of theoretical chemistry looking to understand chemical processes and to study molecular structure and spectroscopy. For information about our topics of interest, please visit the research section of this webpage.

The Universidad de Antioquia is located in Medellin, the second largest city in Colombia. UdeA is one of the most important institutions of higher education in the country and is also the oldest public university in Colombia, established in 1803.

News & Updates:

March 5th, 2018: Professor Doris Guerra is joining our research group. Welcome back Doris!

September 11, 2017: We have successfully moved to our new spaces. Hopefully, this will positively impact our research

September 15, 2017: Carolina successfully defended her masters thesis. Congratulations!!

Recent papers (since 2017)

Elizabeth Florez, Nancy Acelas, Frank Ramirez, Cacier Hadad, Albeiro Restrepo. Microsolvation of F^-. Phys. Chem. Chem. Phys. 2018, 20, 8909.
Emerson Rengifo, Sara Gómez, Julio Arce, Frank Weinhold, Albeiro Restrepo. The role of hyperconjugation in the unusual conformation of thymine: a natural bond orbital analysis Comp. Theor. Chem. 2018, 1130, 58.
Norberto Moreno, Albeiro Restrepo, Cacier Hadad. Exotic species with explicit Noble metal-Noble gas-Noble metal linkages Phys. Chem. Chem. Phys. 2018, 20, 5036.
Leopoldo Mejía, Franklin Ferraro, Edison Osorio, Cacier Hadad. Activation and diffusion of ammonia borane hydrogen on gold tetramers Int. J. Quantum Chem. 2018. Accepted.
Francisco Núñez-Zarur, Xavier Solans-Monfort, Albeiro Restrepo. Mechanistic insights into alkane metathesis catalized by silica-supported tantalum hydrides: a dft study. Inorg. Chem. 2017, 56, 10458.
Nancy Acelas, Cacier Hadad, Albeiro Restrepo, César Ibargüen, Elizabeth Flórez. Adsorption of nitrate and bicarbonate on Fe-(hydr)oxide. Inorg. Chem. 2017, 56, 5455.
Sara Gómez, Jonathan Nafziger, Albeiro Restrepo, Adam Wasserman. Partition-DFT on the water dimer. J. Chem. Phys. 2017, 146, 074106.
Paola Farfán, Andrea Echeverri, Estefanía Diaz, Juan David Tapia, Sara Gómez, Albeiro Restrepo. Dimers of formic acid: Structures, stability, and double proton transfer. J. Chem. Phys. 2017, 147, 044312.
Fernando Murillo, Alba Vargas-Caamal, Sudip Pan, Jose Luis Cabellos, Migeul Mora-Fonz, Alvaro Muñoz-Castro, Albeiro Restrepo, Gabriel Merino. Does H₄SO₅ exist? Phys. Chem. Chem. Phys. 2017, 19, 17088.
Carolina Giraldo, Franklin Ferraro, Cacier Hadad, Lina Ruiz, William Tiznado, Edison Osorio. Theoretical design of stable hydride clusters: isoelectronic transformation in the E_nAl_4-nH_7+n^- series. RSC Advances. 2017, 7, 16069.
Leonard Floryan, András Borosy, Francisco Núñez-Zarur, Aleix Comas-Vives, Christophe Copéret. Strain effect and dual initiation pathway in Cr(III)/SiO2 polymerization catalysts from amorphous periodic models. J. Cat. 2017, 346, 50.