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Valdes, Haydee
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ResearcherID: D-8612-2013
Other Names: valdes h; gonzalez hv
URL: http://www.researcherid.com/rid/D-8612-2013
Subject: Chemistry
Keywords: computational chemistry; computational biochemistry
My Institutions (more details)
Primary Institution:
Sub-org/Dept:
Past Institutions: University of Oviedo, UO; Academy of Sciences of the Czech Republic, ASCR; Academy of Sciences of the Czech Republic, ASCR; Academy of Sciences of the Czech Republic, ASCR; Academy of Sciences of the Czech Republic, ASCR; University of Oviedo, UO; University of Barcelona (UB); University of Valladolid
My URLs: http://www.hvaldesg.com
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: 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
 Author(s): Reha, D.; Valdes, H.; Vondrasek, J.; et al.
 Source: Chemistry-a European Journal Volume: 11 Issue: 23 Pages: 6803-6817 Published: 2005
 Times Cited: 126
 DOI: 10.1002/chem.200500465
added
23-Apr-13
2.  Title: 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 MP ...
 Author(s): Dabkowska, I.; Gonzalez, H. V.; Jurecka, P.; et al.
 Source: Journal of Physical Chemistry A Volume: 109 Issue: 6 Pages: 1131-1136 Published: 2005
 Times Cited: 104
 DOI: 10.1021/jp046738a
added
23-Apr-13
3.  Title: Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field
 Author(s): Valdes, Haydee; Pluhackova, Kristyna; Pitonak, Michal; et al.
 Source: Physical Chemistry Chemical Physics Volume: 10 Issue: 19 Pages: 2747-2757 Published: 2008
 Times Cited: 99
 DOI: 10.1039/b719294k
added
23-Apr-13
4.  Title: QUANTUM CHEMICAL BENCHMARK ENERGY AND GEOMETRY DATABASE FOR MOLECULAR CLUSTERS AND COMPLEX MOLECULAR SYSTEMS (www.begdb.com): A USERS MANUAL AND EXAMPLES
 Author(s): Rezac, Jan; Jurecka, Petr; Riley, Kevin E.; et al.
 Source: Collection of Czechoslovak Chemical Communications Volume: 73 Issue: 10 Pages: 1261-1270 Published: 2008
 Times Cited: 93
 DOI: 10.1135/cccc20081261
added
23-Apr-13
5.  Title: Resolution of identity density functional theory augmented with an empirical dispersion term (RI-DFT-D): A promising tool for studying isolated small peptides
 Author(s): Cerny, Jiri; Jurecka, Petr; Hobza, Pavel; et al.
 Source: Journal of Physical Chemistry A Volume: 111 Issue: 6 Pages: 1146-1154 Published: 2007
 Times Cited: 66
 DOI: 10.1021/jp066504m
added
23-Apr-13
6.  Title: Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: n Helicenes and Phe-Gly-Phe tripeptide
 Author(s): Valdes, Haydee; Klusak, Vojtech; Pitonak, Michal; et al.
 Source: Journal of Computational Chemistry Volume: 29 Issue: 6 Pages: 861-870 Published: 2008
 Times Cited: 55
 DOI: 10.1002/jcc.20841
added
23-Apr-13
7.  Title: Structure of isolated tryptophyl-glycine dipeptide and tryptophyl-glycyl-glycine tripeptide: Ab initio SCC-DFTB-D molecular dynamics simulations and high-level correlated ab initio quantum chemical calculations
 Author(s): Valdes, H.; Reha, D.; Hobza, P.
 Source: Journal of Physical Chemistry B Volume: 110 Issue: 12 Pages: 6385-6396 Published: 2006
 Times Cited: 49
 DOI: 10.1021/jp057425y
added
23-Apr-13
8.  Title: Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies
 Author(s): Kabelac, Martin; Valdes, Haydee; Sherer, Edward C.; et al.
 Source: Physical Chemistry Chemical Physics Volume: 9 Issue: 36 Pages: 5000-5008 Published: 2007
 Times Cited: 45
 DOI: 10.1039/b707182e
added
23-Apr-13
9.  Title: Potential-energy and free-energy surfaces of glycyl-phenylalanyl-alanine (GFA) tripeptide: Experiment and theory
 Author(s): Valdes, Haydee; Spiwok, Vojtech; Rezac, Jan; et al.
 Source: Chemistry-a European Journal Volume: 14 Issue: 16 Pages: 4886-4898 Published: 2008
 Times Cited: 43
 DOI: 10.1002/chem.200800085
added
23-Apr-13
10.  Title: Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides
 Author(s): Gloaguen, Eric; Valdes, Haydee; Pagliarulo, Francesca; et al.
 Source: Journal of Physical Chemistry A Volume: 114 Issue: 9 Pages: 2973-2982 Published: 2010
 Times Cited: 33
 DOI: 10.1021/jp904216f
added
23-Apr-13
publication(s)  
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