Haydée Valdés

Structure and IR Spectrum of Phenylalanyl–Glycyl–Glycine Tripetide in the Gas‐Phase: IR/UV Experiments, Ab Initio Quantum Chemical Calculations, and Molecular Dynamic Simulations

David Řeha, Haydée Valdés, Jiřı́ Vondrášek et al. · Chemistry - A European Journal · 2005 · 179 citations

Natural Sciences, Chemistry, Physics +17

Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples

Jan Řezáč, Petr Jurečka, Kevin E. Riley et al. · Collection of Czechoslovak Chemical Communications · 2008 · 173 citations · Full text

Natural Sciences, Chemistry, Physics +10

Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field

Haydée Valdés, Kristýna Pluháčková, Michal Pitoňák et al. · Physical Chemistry Chemical Physics · 2008 · 155 citations

Natural Sciences, Biochemistry, Physics +17

Stabilization Energies of the Hydrogen-Bonded and Stacked Structures of Nucleic Acid Base Pairs in the Crystal Geometries of CG, AT, and AC DNA Steps and in the NMR Geometry of the 5‘-d(GCGAAGC)-3‘ Hairpin:  Complete Basis Set Calculations at the MP2 and CCSD(T) Levels

Iwona Dąbkowska, Haydée Valdés, Petr Jurečka et al. · The Journal of Physical Chemistry A · 2005 · 124 citations

Life Sciences, Biochemistry, Biophysics +17

Chemoselective Intramolecular Functionalization of Methyl Groups in Nonconstrained Molecules Promoted by <i>N</i>-Iodosulfonamides

Nieves R. Paz, Dionisio Rodríguez-Sosa, Haydée Valdés et al. · Organic Letters · 2015 · 81 citations

Natural Sciences, Chemistry, Catalysis +13