All Stories

  1. State-Quantum-Chemistry Set in a Photonic Framework

    Article • January 2016, Elsevier

    Professor Orlando Tapia

  2. Quantum-matter photonic framework perspective of chemical processes: Entanglement shifts in HCN/CNH isomerization

    Article • International Journal of Quantum Chemistry, June 2015, Wiley

    Professor Orlando Tapia

  3. Quantum physical chemistry. Quantum physics primer

    Article • January 2012, Universitat Jaume I

    Professor Orlando Tapia

  4. Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions?

    Article • Journal of Molecular Modeling, November 2011, Springer Science + Business Media

    Professor Orlando Tapia

  5. Beyond Standard Quantum Chemical Semi-Classic Approaches: Towards a Quantum Theory of Enzyme Catalysis

    Article • January 2010, Springer Science + Business Media

    Professor Orlando Tapia

  6. Simulating trends in reaction path geometry as a function of external fields. A generalized electronic diabatic model for two-dimensional energy surfaces

    Article • International Journal of Quantum Chemistry, January 2008, Wiley

    Professor Orlando Tapia

  7. Generalized Electronic Diabatic Ansatz:A Post-Born–Oppenheimer Approach to Electronuclear Dynamics in External Fields

    Article • January 2004, Elsevier

    Professor Orlando Tapia

  8. Proteins in vacuo. A connection between mean overcrossing number and orientationally-averaged collision cross section

    Article • Physical Chemistry Chemical Physics, July 2002, Royal Society of Chemistry

    Professor Orlando Tapia

  9. Docking and molecular dynamics studies at trypanothione reductase and glutathione reductase active sites

    Article • Journal of Molecular Modeling, May 2002, Springer Science + Business Media

    Professor Orlando Tapia

  10. Computer assisted design of potentially active anti-trypanosomal compounds

    Article • Journal of Molecular Structure THEOCHEM, April 2002, Elsevier

    Professor Alan H Fairlamb, Professor Orlando Tapia, Ignez Caracelli

  11. Solvent Effects and Chemical Reactivity

    Article • January 2002

    Professor Orlando Tapia

  12. Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function:  Gas- and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case

    Article • The Journal of Physical Chemistry A, March 1999, American Chemical Society (ACS)

    Professor Orlando Tapia

  13. Theory of non-local (pair site) reactivity from model static-density response functions

    Article • Theoretical Chemistry Accounts, May 1998, Springer Science + Business Media

    Professor Orlando Tapia

  14. Relationship between the electronic chemical potential and proton transfer barriers

    Article • Chemical Physics Letters, May 1997, Elsevier

    Professor Orlando Tapia

  15. On the sensitivity of MD trajectories to changes in water-protein interaction parameters: The potato carboxypeptidase inhibitor in water as a test case for the GROMOS force field

    Article • Proteins Structure Function and Bioinformatics, May 1996, Wiley

    Professor Orlando Tapia

  16. Low-Frequency Domain Motions in the Carboxy Terminal Fragment of L7/L12 Ribosomal Protein Studied with Molecular Dynamics Techniques: Are These Movements Model Independent?

    Article • The Journal of Physical Chemistry, April 1995, American Chemical Society (ACS)

    Professor Orlando Tapia

  17. A molecular model for the retinol binding protein-transthyretin complex

    Article • Journal of Molecular Graphics, June 1992, Elsevier

    Professor Orlando Tapia

  18. Implementing knot-theoretical characterization methods to analyze the backbone structure of proteins: application to CTF L7/L12 and carboxypeptidase A inhibitor proteins

    Article • Journal of Molecular Graphics, September 1991, Elsevier

    Professor Orlando Tapia

  19. Analytical first and second energy derivatives in the polarization model

    Article • Chemical Physics Letters, February 1990, Elsevier

    Professor Orlando Tapia

  20. Molecular dynamics simulation of the solution structure of the C-terminal fragment of L7/L12 ribosomal protein

    Article • Biopolymers, January 1990, Wiley

    Professor Orlando Tapia

  21. Theoretical study of solvation effects on chemical reactions. A combined quantum chemical/Monte Carlo study of the Meyer-Schuster reaction mechanism in water

    Article • Journal of the American Chemical Society, February 1989, American Chemical Society (ACS)

    Professor Orlando Tapia

  22. Book Review Molecular Quantum Electrodynamics: An Introduction to Radiation-Molecular Interactions. By D. P. Craig and T. Thirunamachandran. Academic Press, London, 1984.

    Article • International Journal of Quantum Chemistry, June 1986, Wiley

    Professor Orlando Tapia

  23. Linear bending in propynyl cation, allene, and propyne systems: do they have flexible structures? an ab initio 4 – 31 + G molecular orbital study

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1985, Royal Society of Chemistry

    Professor Orlando Tapia

  24. Three-dimensional structure of horse liver alcohol dehydrogenase at 2.4 Å resolution

    Article • Journal of Molecular Biology, March 1976, Elsevier

    Professor Orlando Tapia