Search

Now showing items 1-6 of 6

Artículo

Comment on "going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to Na2 +" [J. Chem. Phys. 138, 054110 (2013)]

Stoll, Hermann; Fuentealba Rosas, Patricio; Von Szentpály, László (2013)

Artículo

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Miranda Rojas, Sebastián; Muñoz Castro, Alvaro; Arratia Pérez, Ramiro; Mendizábal Emaldía, Fernando (2013)

Artículo

How reliable is the hard-soft acid-base principle? An assessment from numerical simulations of electron transfer energies

Cárdenas, Carlos; Ayers, Paul W. (2013)

Artículo

Remote regio- and stereocontrol by the sulfinyl group: Diels-Alder reaction of sulfinyl dienols and 8,8-dimethylnaphthalene-1,4,5(8H)-trione

Almodovar, Iriux; Cardona, Wilson; Delgado Castro, Tomás; Zapata Torres, Gerald; Caroli Rezende, Marcos; Araya Maturana, Ramiro; Maestro, M. Carmen; García Ruano, José L. (2013)

Artículo

Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions

Ormazábal Toledo, Rodrigo; Contreras Ramos, Renato; Tapia, Ricardo A.; Campodónico, Paola R. (2013)

Artículo

Ab initio molecular dynamics simulations of Ti2 on C 20 collisions and C20Ti2 configurations

Muñoz, Francisco; Cardenas, Carlos; Rogan Castillo, José; Valdivia Hepp, Juan; Fuentealba Rosas, Patricio; Kiwi Tichauer, Miguel (2013)

Advanced Search

Filters