Curriculum Vitae

Most recent post and address:

Research Associate, Centre for Computational Chemistry, School of Chemistry, University of Bristol, BS8 1TH, Bristol, UK 

Research areas:

Computational Chemistry, Molecular Modelling, Enzyme Catalysis, Computational Spectroscopy.

Teaching areas:

Molecular Spectroscopy, Quantum Chemistry, Computational Chemistry, Physical Chemistry, Molecular Modelling, General Chemistry

Memberships: 

  • Molecular Graphics and Modelling Society (Member) from 2017 –
  • Royal Chemistry Society (Member) from 2015 –
  • Biochemical Society (Member) from 2014 –
  • Federation of European Biochemical Societies (FEBS) from 2012 –
  • Cuban Chemistry Society, from 2003 –
  • Spanish Society of Biochemistry and Molecular Biology, from 2012 to 2014

Studies:

  • PhD in Physical-Chemistry, “Calculation of NMR Scalar Coupling Constants by DFT. Angular Dependence and Interpretation”, Autonomous University of Madrid, Spain, 2009.
  • Bioinformatics MSc, Biotechnology and Genetic Engineering Centre, Havana, Cuba, 2003.
  • Chemistry BSc, “Conformational Studies by Molecular Dynamics and NMR of 22, 23 epoxides in Brassinosteroids Analogous”, University of Havana, Cuba, 2003.

Professional experience: 

  • Research Associate, University of Bristol, Bristol, United Kingdom, from July 2017.
  • Visiting Senior Research Fellow, King’s College London, United Kingdom, from April to June 2017.
  • Marie Curie Experienced Research Fellow, King’s College London, United Kingdom, from November 2014 to April 2017.
  • Research Associate, Autonomous University of Barcelona, Spain, from July 2013 to November 2014.
  • Visiting Research Associate, King’s College London, United Kingdom, from April to July 2014. (Free Energy Calculations Molecular of reaction mechanisms in human lipoxygenase Enzymes)
  • Postdoctoral Fellow, Autonomous University of Barcelona, Spain, from 2011 to 2013.
  • Postdoctoral Fellow, University of Cambridge, United Kingdom, from 2010 to 2011.
  • Assistant Professor of Physical Chemistry, University of Havana, from 2008 to 2011.
  • Instructor Professor of Physical Chemistry, University of Havana, 2006-2008.
  • Scientific Reserve (teaching staff without PhD), University of Havana, 2003-2006.
  • Teaching Assistant in Physical Chemistry, Department of Physical Chemistry, Faculty of Chemistry, University of Havana, 2001-2003.
  • High School Chemistry Teacher (part time), Abraham Lincoln High School, Havana, Cuba (2000-2001) 

Guided (officially) Diploma Thesis

  • Carlos E. Gonzales “Theoretical Studies of NMR coupling constants in furan-2-carboxaldehydes derivatives”, University of Havana 2011.
  • Jorge A. Corral, “Choice of Density Functionals and Basis Sets on Calculations of 2JCC” University of Havana 2010.
  • Miguel Fernández Oliva, “Study by Nuclear Magnetic Resonace Spectroscopy and Molecular Dynamics of the Growth Hormone Releasing Peptide GHRP-6”, University of Havana 2009.
  • Yasser Novo González, “Evaluation of Karplus Equations in Aminoacid Side Chains by Density Functional Theory” High Institute of Applied Science and Technology, 2008.
  • David Santos Carballal, “Substituent effects on rotational barriers and chemical shifts in Furfurale derivatives” University of Havana 2007.

Awards, fellowships, grants:  

  • Marie Curie Experienced Researcher Individual Fellowship, UK, (budget 309235 €), 2014.
  • Federation of Biochemical Societies (FEBS) short-term Fellowship, UK, (budget 4500 €), 2013.
  • Cuban Academy of Sciences National Award, Author in the project: “Liquid Crystals based on biphenyl-alkynyl systems”, Cuba, 2012.
  • Alliance 4U Postdoctoral Fellowship, Spain, (budget 60000 €),
  • Erasmus-Mundus Postdoctoral Fellowship, UK, (budget 24000 €),
  • Award to outstanding young Professor, Faculty of Chemistry, University of Havana, Cuba, 2010.
  • Award to outstanding PhD thesis in Natural Sciences, Cuban Academy of Sciences, Cuba, 2010.
  • Award to outstanding PhD thesis, University of Havana, Cuba, 2010.
  • PhD scholarship, Autonomous University of Madrid, Spain, 2005.
  • Cuban Academy of Sciences National Award, Collaborator in the project: “Synthesis and biological activity of Steroids from natural sources”, Cuba, 2007.
  • Cuban Academy of Sciences National Award, Collaborator in the project: “Complexes of Ruthenium (II) with pirazole and its interactions with nitric oxide”, Cuba, 2006.
  • Gold Medallist, High School National Contest of Chemistry, Cuba, 1997.

Languages 

  • Spanish (native)
  • English (good)
  • Catalan (basic)

Professional Service: 

  • Editorial board of Frontiers in Chemistry (Theoretical and Computational Chemistry section)
  • Reviewer  for Scientific Reports (Nature Publishing Group)
  • Reviewer for Journal of Chemical Physics (AIP)
  • Reviewer for Journal of Organic Chemistry (ACS)
  • Reviewer for Journal of Molecular Modeling (Springer)
  • Reviewer for Frontiers in Chemistry (Frontiers)
  • Reviewer for Computational Biology and Chemistry (Elsevier)
  • Reviewer for Science and Technology of Atomic, Molecular, Condensed Matter & Biological Systems (Elsevier)

Scientific meetings, Seminars, Workshops (O=Oral presentation, P=Poster, C= Organizing Committee)

  1. 1. UK Catalysis Hub Spring Conference, 2019, “Towards a Mechanistic Understanding of Enzymatic Activity Behind Antimicrobial Resistance”, Oxford, United Kingdom. (P)
  2. BrisSynBio Annual Conference, 2019, Bristol, United Kingdom.
  3. RSC Twitter Poster Conference 2019, “Towards a Mechanistic Understanding of Antimicrobial Resistance to Colistin, online. (P)
  4. UK Catalysis Conference 2019, “Towards a Mechanistic Understanding of Antimicrobial Resistance to Colistin, 2018, Loughborough, United Kingdom. (O)
  5. Quantum Bio-Inorganic Chemistry Conference, “Towards a Mechanistic Understanding of Antimicrobial Resistance to Colistin, 2018, Bath, United Kingdom. (P)
  6. ISQBP President’s Meeting 2018, “Towards a Mechanistic Understanding of Antimicrobial Resistance to Colistin, 2018, Barcelona, Spain. (P)
  7. Multiscale Modelling of Condensed Phase and Biological Systems. Manchester, 2018, United Kingdom. (P)
  8. CCP-BioSim Conference: Frontiers of Biomolecular Simulation. 2017, Southampton, United Kingdom. (P, Ch)
  9. QM/MM Methods and Applications. Probing complex systems in biology and materials. 2017, Manchester, United Kingdom. (P)
  10. MD in Pharma, London, 2017, United Kingdom. (P)
  11. Crick Computational and Physical Biology Workshop, 2016, London, United Kingdom. (O)
  12. Free Energy Calculation and Molecular Kinetics Workshop, 2016, London, United Kingdom. (C)
  13. Gordon Research Seminar (Bridging Computation and Experiment at All Scales), 2016, Girona, Spain. (O)
  14. Gordon Research Conference (Theory and Simulation Across Scales in Molecular Science), 2016, Girona, Spain. (P)
  15. Recent Appointees in Materials Modelling (RAMM), 2016, London, UK. (O)
  16. The Frontiers of Materials Modeling – TYC 10th Anniversary Symposium, 2016, London, UK. (P)
  17. Virtual Winter school on Computational Chemistry, http://winterschool.cc, online.
  18. Workshop on DNA damages: modeling and rationalize structure and reactivity, 2015, Lyon, France. (O)
  19. International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), 2015, Birmingham, United Kingdom. (O)
  20. Workshop on Modeling activity vs. selectivity in metalloproteins, 2015, Paris, France. (O)
  21. Workshop on Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond, 2015, Lausanne, Switzerland.
  22. Free Energy Calculation and Molecular Kinetics Workshop, 2015, London, United Kingdom. (C)
  23. Federation of European Biochemical Societies – European Molecular Biology Organization (FEBS-EMBO) Congress, “Regio- and Stereospecificity of Acid Oxygenation Catalyzed by Leu597 Mutants of Rabbit 15- lipoxygenases. A Quantum Mechanics/Molecular Mechanics Study”, 2014, Paris, France. (P)
  24. Youth Scientist Forum (YSF), “Regio- and Stereospecificity of Acid Oxygenation Catalyzed by Leu597 Mutants of Rabbit 15-lipoxygenases. A Quantum Mechanics/Molecular Mechanics Study”, 2014, Paris, France. (P)
  25. Barcelona BioMed Conferences. Frontiers in Dynamics Simulations of Biological Molecules “On the Regio-specificity of Hydroperoxidation of Fatty Acids by Mammalian Lipoxygenases”, 2013, Barcelona, Spain. (P)
  26. Workshop for the Calculation of Solid-State NMR and EPR Parameters Using the GIPAW Method, 2013, Zurich, Switzerland.
  27. Federation of European Biochemical Societies (FEBS) Congress 2013 Mechanisms in Biology. “On the Regio-specificity of Hydroperoxidation of Fatty Acids by Mammalian Lipoxygenases”, 2013, Saint Petersburg, Russia. (P)
  28. ADGLASS Winter School on Advanced Molecular Dynamics Simulations. 2013, Trieste, Italy.
  29. Tutorial for the AMBER set of modelling tools. 2012, Lausanne Switzerland.
  30. X Girona Seminar, on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Application. “QM/MM study of the regioespecificity of hydroperoxidation of linoleic acid catalyzed by mammalian 15-lipoXygenase”, 2012, Girona, Spain. (P)
  31. Schrödinger Workshop “Computational Drug Discovery”, 2012, Barcelona, Spain.
  32. XXVIII Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya, Barcelona, Spain.
  33. Seminars of advanced studies in Molecular Modeling and Bioinformatics, “Towards NMR structure determination of RNA DFT-calculated chemical shifts” 2011, Havana-Varadero, Cuba. (O)(C)
  34. VI Photodynamic, “On the Karplus equation for spin-spin coupling constants satisfying the 3J(180º) < 3J(0º) relationship” 2010, Havana, Cuba. (P)
  35. I Congreso Iberoamericano de Química, “NMR spin–spin coupling constants and hyperconjugative interactions” 2009, Havana, Cuba. (O)
  36. Seminars of advanced studies in Molecular Modeling and Bioinformatics, “On the Karplus equation for spin-spin coupling constants satisfying the 3J(180º) < 3J(0º) relationship” 2009, Havana-Varadero, Cuba. (P)(C)
  37. V Photodynamic, “Density Functional Theory predictions of one-bond carbon-hydrogen NMR coupling constants” 2008, Havana, Cuba. (P)
  38. XXXIII Congreso de Químicos Teóricos de Expresión Latina,
  39. “Density Functional Theory predictions of one-bond carbon-hydrogen NMR coupling constants” (P)
  40. “Theoretical Karplus relationships for vicinal coupling constants around χ1 in Valine” (P)
  41. “Potential Energy Surfaces and Jahn – Teller Effect on CH4•••NO complexes” (P)
  42. “Analysis of substituent effect on rotational barriers and shielding constants in furfural derivatives.” (P)

2007, Havana, Cuba (C)

  1. 11th Electronic Computational Chemistry Conference, “Conformational and NMR study of some furfural derivatives by DFT methods”, 2007, on line. (P)
  2. XXVII Latinoamerican Congress of Chemistry and Chemistry Engineering, “DFT analysis of rotational barriers and chemical shifts in furan derivatives”, 2006, Havana, Cuba. (P)
  3. Seminars of advanced studies in Molecular Modeling and Bioinformatics, 2006, Havana, Cuba. (P)
  4. Symposium Cuba – UK of Chemistry and Life Sciences, “Substituent effects on rotational barriers and chemical shifts in Furfurale derivatives”, 2006, Havana, Cuba. (P)
  5. XXXI Congreso de Químicos teóricos de expresión latina,
  1. A DFT study of the substituent induced shifts of a 5a-OH on ring A 13C chemical shifts of spirostanic sapogenins” (P)
  2. Calculation of NMR coupling constants in amino acids side chains” (P)

          2005, Margarita Island, Venezuela.

  1. I Conferencia Científica de la Universidad de las Ciencias Informáticas, II Taller de Bioinformática. “Análisis teórico de parámetros de RMN en proteínas”, 2005, Havana, Cuba. (O)
  2. 18 Conferencia Internacional de Química de la Universidad de Oriente, 2005, Santiago de Cuba, Cuba. (P)
  3. Photodynamics, “Theoretical study of brassinosteroids lateral chain by MD, NMR and DFT”, 2004, Havana, Cuba. (P)
  4. Seminars of advanced studies in Molecular Modeling and Bioinformatics, 2004, Havana, Cuba. (P)
  5. Symposium Cuba – France of Bioinformatics, “Conformational study via NMR and MD of epoxides in brassinosteroids analogs”, 2003, Havana, Cuba. (P)
  6. Symposium Cuba – UK of Bioinformatics, “Parameterization of Gromos force field for conformational análisis of epoxide systems”, 2002, Havana, Cuba. (P)
  7. Seminars of advanced studies in Molecular Modeling and Bioinformatics, 2002, Havana, Cuba. (P)

Scientific meetings (not attendant, poster presented by a colleague)

  1. 5th European Workshop on Lipid Mediators, “Unravelling How Enzymes Can Use Bulky Residues To Drive Siteselective C-H Activation: The Case Of Mammalian Lipoxygenases Catalyzing Arachidonic Acid Oxidation” 2014, Istanbul, Turkey. (P)
  2. IV International Symposium on Chemistry, “On the Unusual 2JC2-Hf Coupling Dependence on syn/anti Conformation in 5X-furan-2-carboxaldehydes” 2010, Santa Clara, Cuba. (P)
  3. 13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, “DFT-NJC analysis of stereochemical effects on NMR spin-spin coupling constants”, 2009, Lyon, France. (P)
  4. XXXIV Congreso de Químicos Teóricos de Expresión Latina, “On the Karplus equation for spin-spin coupling constants satisfying the 3J(180º) < 3J(0º) relationship” 2008, Cetraro, Italy. (P)
  5. Heron Island Conference on Reactive Intermediates and Unusual Molecules, “Computational Study of the Molecular Interactions between Simple Radicals and Water”, 2007, Queensland, Australia. (P)
  6. 12th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, “Density Functional Theory Predictions Of One-Bond Carbon-Carbon NMR Coupling Constants”, 2007, Amsterdam, Netherlands. (P)
  7. XXXIIème congrès du Chimistes théoriciens d’expression latine, “DFT analysis of rotational barriers and chemical shifts in furan derivatives”, 2006, Cotes de Carthage, Tunisia. (P)
  8. III Santa Maria Workshop on Chemistry, “Effects of Nitric oxide coordination in ruthenium(II) nitrosyl complexes of 3,5-dimethylpyrazol derivatives”, 2005, Havana, Cuba. (P)
  9. II Bienal de RMN, GERM RSEQ, “Conformational equilibrium in furfural derivatives by 13C coupling constants”, 2004, Santiago de Compostela, Spain. (P)

 

Publications (marked with an * when I am the corresponding author)

  1. M. AL Limb, R. Suardíaz, I. M. Grant, A. J. Mulholland, “QM/MM Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme”, Chem. Eur. J. 25, 764, 2019.
  2. H. L. Messiha, S. T. Ahmed, V. Karuppiah, R. Suardíaz, N. Fey, S. Yeates, A. J. Mullholand, N. S. Scrutton, “Toward Sustainable Routes for Polymer Production: Monooxygenases for Bio-production of Lactone Monomers” Biochemistry 57, 1997, 2018.
  3. P. Saura, R. Suardíaz, L. Masgrau, E. Rosta, A. Gonzalez-Lafont, J. M. Lluch “Understanding the Molecular Mechanism of the Ala-versus-GlyConcept Controling the Product Specificity in Reactions Catalyzed by Lipoxygenases: A Combined Molecular Dynamics and QM/MM study of Coral 8R-lipoxygenase.” ACS Cat. 7, 4854, 2017.
  4. T. J. Ryan, J. del Barrio, R. Suardíaz, D. Ryan, E. Rosta, O. A. Scherman, “A Dynamic and Responsive Semi-rigid Host in Action: Light-Controlled Molecular Encapsulation” Angew. Chem. Int. Ed. 55, 16096, 2016.
  5. N. Nagy, R. Suardíaz, A. Lopata, I. Leveles, O. Ozohanics, K. V. P. Sharma, J. Tóth, B. Vértessy, E. Rosta, “Identification of an arginine finger for the pyrophosphatase dUTPases”, J. Am. Chem. Soc. 138, 15035, 2016.
  6. Suardíaz, P. G. Jambrina, L. Masgrau, J. M. Lluch, A. Gonzalez-Lafont, E. Rosta, “Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation” J. Chem. Theory Comput. 12, 2079, 2016.
  7. D. Ortiz, M. Ortiz, R. Suardíaz, A. Fragoso, P. J. Ortiz, “Experimental and theoretical characterization of a novel bis-pyrazoylmethane ligand” Magn. Reson. Chem. 53, 539, 2015.
  8. M. Gonzalez, K. Bravo-Rodriguez, R. Suardiaz, J. M. Garcia de la Vega, L. A. Montero, E. Sanchez-Garcia, R. Crespo-Otero, “Complexes of nitric oxide with water and imidazole” Theor. Chem. Acc. 134, 1, 2015.
  9. Saura, R. Suardíaz, L. Masgrau, J. M. Lluch, A. Gonzalez-Lafont, “Unraveling how Enzymes Can Use Bulky Residues to Drive Site-Selective C-H Activation: The Case of Mammalian Lipoxygenases Catalyzing Arachidonic Acid Oxidation” ACS Cat, 4, 4351, 2014.
  10. Suardíaz, L. Masgrau, J. M. Lluch, A. Gonzalez-Lafont, “Regio- and Stereo-specificity in the Oxygenation of Linolieic Acid Catalyzed by Leu597 Mutants of Rabbit 15-Lipoxygenase: A QM/MM Study” ChemPhysChem 15, 4049, 2014.
  11. Suardíaz, L. Masgrau, J. M. Lluch, A. Gonzalez-Lafont, “Regio- and Stereospecificity of Acid Oxygenation Catalyzed by Leu597 Mutants of Rabbit 15-lipoxygenases. A Quantum Mechanics/Molecular Mechanics Study” FEBS J. 281 (s1) 636, 2014.
  12. Suardíaz, L. Masgrau, J. M. Lluch, A. Gonzalez-Lafont, “Regio- and Stereo-specificity in the Oxygenation of Arachidonic Acid Catalyzed by Leu597 Mutants of Rabbit 15-Lipoxygenase: A QM/MM Study” ChemPhysChem. 15, 2303, 2014.
  13. Sán Fabián, J. M. García de la Vega, R. Suardíaz, M. F. Oliva, C. Pérez, R. Crespo-Otero, R. H. Contreras, “Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCHMagn. Reson. Chem. 51, 775, 2013.
  14. Suardíaz, L. Masgrau, J. M. Lluch, À. González-Lafont, “On the Regio-stereo-specificity of Arachidonic Acid Peroxidation Catalyzed by Mammalian 15-Lipoxygenases” ChemPhysChem. 14, 3777, 2013.
  15. Santos, R. Suardiaz*, R. Crespo-Otero, L. González, C. Pérez, “Conformational and NMR study of some furan derivatives by DFT methods” J. Mol. Model. 19, 4591, 2013.
  16. Suardíaz, L. Masgrau, J. M. Lluch, À. González-Lafont, “On the Regiospecificity of Hydroperoxidation of Fatty Acids by Mammalian Lipoxygenases” FEBS J. 280, s1, 94, 2013.
  17. Suardíaz, A. Sahakyan, Michele Vendruscolo, “Relationship between Chemical Shift and RNA Structure. Equation linking Sugar Pucker and 13C Chemical Shifts” J. Chem. Phys. 139, 034101, 2013.
  18. Suardíaz, L. Masgrau, J. M. Lluch, À. González-Lafont, “An Insight into the Regiospecificity of Linoleic Acid Peroxidation Catalyzed by Mammalian 15-Lipoxygenases”, J. Phys. Chem. B, 117, 3747, 2013.
  19. M. García De La Vega, J. San Fabián, R. Suardíaz, R. Crespo-Otero, C. Pérez, “Theoretical DFT Karplus equations: aminoacid side-chain torsion angle χ1” Int. J, Quantum Chem. 113, 656, 2013.
  20. F. Oliva, R. Suardíaz, H. Santana, J. Gavín, C. Pérez, “Study by Nuclear Magnetic Resonace Spectroscopy and Molecular Dynamics of the Growth Hormone Releasing Peptide GHRP-6” Magn. Reson. Chem. 50, 364, 2012.
  21. Suardíaz, R. Crespo-Otero, C. Pérez, J. San Fabián, J. M. García de la Vega, “Accurate Determination of Side-Chain Torsion Angle χ1 in Proteins. Phenylalanine Residues”, J. Chem. Phys. 134, 061101, 2011.
  22. D. Ortiz, R. Suardíaz, L. de Vega, G. Hennrich, P. J. Ortiz, “Steric and Electronic Situation in the 4-X-4’-[(4’’-phenyl)ethynyl]biphenyl Homologous series: A Joint Theoretical and Spectroscopic Study” J. Phys. Chem. A, 114, 2939, 2010.
  23. R. H. Contreras, R. Suardíaz, C. Pérez, R. Crespo-Otero, J. Sán Fabián, J. M. García de la Vega, “NMR Spin–Spin Coupling Constants and Hyperconjugative Interactions”, Int. J. Quantum Chem. 110, 532, 2010.
  24. Crespo-Otero, K. Bravo-Rodríguez, R. Suardíaz, L. A. Montero, J. M. García de la Vega, “Theoretical models of Imidazole···NO complexes”, J. Phys. Chem. A, 113, 14595, 2009.
  25. Suardíaz, M. Maestre, E. Suárez, Y. Bernardo, E. Alonso, C. Pérez “Molecular Dynamics and NMR analysis of the configurational assignment of epimeric 22, 23 epoxides of Stigmasterols by 13C NMR” J. Phys. Chem. A, 112, 8333, 2008.
  26. R. H. Contreras, R. Suardíaz, C. Pérez, R. Crespo-Otero, J. Sán Fabián, J. M. García de la VegaOn the Karplus equation for 3JHH spin-spin couplings satisfying the J(180º) < J(0º) relationship”, J. Chem. Theory. Comput. 4, 1491, 2008.
  27. Crespo-Otero, E. Sánchez-García, R. Suardíaz, L. A. Montero, W. Sander, “Ab Initio Study of the Interactions between Simple Radicals and Water”, Chem. Phys. 353, 193, 2008.
  28. Pérez, R. Suardíaz, P. J. Ortiz, R. Crespo-Otero, G. M. Bonetto, J. A. Gavín, J. M. García de la Vega, J. San Fabián, R. H. Contreras, “On the Unusual 2JC2-HfCoupling   Dependence on syn/anti Conformation in 5X-furan-2-carboxaldehydes” Magn. Reson. Chem. 46, 846, 2008.
  29. Suardíaz, C. Pérez, R. Crespo-Otero, J. M. García de la Vega, J. Sán Fabián, “Influence of Density Functionals and Basis sets on One-Bond Carbon-Carbon NMR Spin-Spin Coupling Constants” J. Chem. Theory Comput. 4, 448, 2008.
  30. San Fabián, E. Díez, J. M. García de la Vega, R. Suardíaz, “Approximating Correlation Effects in MCSCF Calculations of Spin-Spin Coupling Constants” J. Chem. Phys. 128, 084108, 2008.
  31. Santos, R. Suardíaz*, L. A. Montero, C. Pérez, “DFT Analysis of Rotational Barriers and Chemical Shifts in Furan Derivatives”, J. Mol. Struct. (THEOCHEM), 852, 78, 2008.
  32. Crespo-Otero, R. Suardíaz, G. Pina-Luis, M. G. Valdés, M. E. Díaz-García, L. A. Montero “Theoretical Study of M-dansylaminophenylboronic Acid and their Species: A sugar chemosensor.” J. Mol. Struct. (THEOCHEM), 852, 71, 2008.
  33. Crespo-Otero, R. Suardíaz, L. A. Montero, J. M. García de la Vega, “Potential Energy Surfaces and Jahn – Teller Effect on CH4•••NO Complexes”, J. Chem. Phys. 127, 104305, 2007.
  34. Suardíaz, C. Pérez, J. M. García de la Vega, J. San Fabián, R. H. Contreras, “A DFT study of χ1 Karplus-related Vicinal Coupling Constants in Valine”, Chem. Phys. Lett. 442, 119, 2007.
  35. Garcia, O. Pando, R. Suardíaz, F. Coll, “Studies on the Regioselectivity of the Baeyer Villiger Oxidation of 3-oxo steroids”, Steroids, 72, 466, 2007.
  36. R Suardíaz*, M. Maestre, E. Suárez, C. Pérez, “Parameterization and Validation of Gromos Force Field to use in Conformational Analysis of Epoxididic Systems” Mol. Struct. (THEOCHEM), 778, 21, 2006
  37. Suardíaz, J. Pérez, D. García, C. Pérez, “A DFT Study of the Substituent Induced Shifts of a 5a-OH on Ring A 13C Chemical Shifts of Spirostanic Sapogenins” J. Mol. Struct. (THEOCHEM), 769, 87, 2006.
  38. P. Quiñones, R. Suardíaz, D. García-Rivera, C. S. Pérez, “Study of the effect of a 5α- OH over the 13C chemical shifts on the A ring of the steroidal nucleus” R. Cub. Quím. XVII, 3, 226, 2005.
  39. Ortiz, A. Diaz, R. Cao, R. Suardíaz, A. Otero, A. Antiñolo, J. Fernández-Baeza, “Ruthenium Nitrosyl Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane Oxyanions” Eur. J. Inorg. Chem., 16, 3353, 2004.

 

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