My publications

An electronic book in Quantum Physical Chemistry

Quantum Physical Chemsitry - Basic Quantum Mechanics for Process Description

by Orlando Tapia

(This is the final version of the book. Anyone will have access to the contents of our work for free. The book is available in pdf format, and is linked to each chapter separately, due to the size.)

Preface and list of content

Chapter 1. Quantum Language in Chemistry

Chapter 2. Basic Quantum Formalism

Chapter 3. Quantum Theory in Space-time I-frames

Chapter 4. Quantum states for simple systems

Chapter 5. Elements of quantum electromagnetism

Chapter 6. Basic Relativistic Quantum Mechanics

Chapter 7. Statistics and quantum molecular issues

Chapter 8. Modulating quantum states: Fence

Chapter 9. Preparing-Detecting-Measuring-Modeling

Publications

  • Tapia, Orlando

    State-Quantum-Chemistry Set in a Photonic Framework

    Part of Advances in Quantum Chemistry, p. 227-251, 2017.

  • Tapia-Olivares, Orlando

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

    Part of International Journal of Quantum Chemistry, p. 1490-1500, 2015.

  • Arteca, Gustavo A.; Laverdure, Laura; Tapia-Olivares, Orlando

    Constructing quantum mechanical models from diabatic schemes: external field modulation of effective energy barriers for bond breaking/formation processes

    Part of Journal of Mathematical Chemistry, p. 2395-2410, 2014.

  • Tapia, Orlando

    Quantum photonic base states: concept and molecular modeling. Managing chemical process descriptions beyond semi-classic schemes

    Part of Journal of Molecular Modeling, p. 2110-, 2014.

  • Arteca, Gustavo A.; Aullo, Josep M.; Tapia, Orlando

    Constructing quantum mechanical models starting from diabatic schemes: Quantum states for simulations bond break/formation-I. Feshbach-like quantum states and electronuclear wave functions

    Part of Journal of Mathematical Chemistry, p. 949-970, 2012.

  • Mokhtar Lamsabhi, Al; Corral, Ines; Perez, Patricia; Tapia, Orlando et al.

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

    Part of Journal of Molecular Modeling, p. 2813-2821, 2012.

  • Crespo, R.; Piqueras, M-C; Aullo, J. M.; Tapia, Orlando et al.

    A Theoretical Study of Semiclassic Models: Toward a Quantum Mechanical Representation of Chemical Processes

    Part of International Journal of Quantum Chemistry, p. 263-271, 2011.

  • Tapia, Orlando

    Quantum States for Quantum Measurements

    Part of ADVANCES IN QUANTUM CHEMISTRY, VOL. 61, p. 49-106, 2011.

  • Arteca, Gustavo A.; Tapia, Orlando

    Generalized electronic diabatic approach to structural similarity and the Hammond postulate

    Part of International Journal of Quantum Chemistry, p. 382-395, 2007.

  • Tapia, Orlando

    Can chemistry be derived from quantum mechanics? Chemical dynamics and structure

    Part of Journal of Mathematical Chemistry, p. 637-669, 2006.

  • Arteca, Gustavo A.; Tapia, Orlando

    A quantum theory of chemical processes and reaction rates based on diabatic electronic functions coupled in an external field.

    Part of Journal of Matematical Chemistry, p. 389-408, 2005.

  • Arteca, Gustavo A.; Tapia, Orlando

    A three-state model for electronic transitions represented in a generalized diabatic approach

    Part of Journal of Mathematical Chemistry, p. 159-174, 2004.

  • Tapia, Orlando; Arteca, Gustavo A.

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

    Part of Advances in Quantum Chemistry, p. 275-291, 2004.

  • Tapia, Orlando

    Generalized electronic diabatic scheme: Diagonalizing the electronic Hamiltonian for artificial molecular systems. How do molecular meccanos move?

    Part of International Journal of Quantum Chemistry, p. 637-650, 2004.

  • Tapia, Orlando; Fidder, Henk

    Towards a quantum molecular measurement theory: Stern-Gerlach thought experiments at the interface of Hilbert and real spaces

    Part of Journal of the Chilean Chemical Society, p. 113-, 2004.

  • Andres, J; Moliner, V; Safont, VS; Aullo, JM et al.

    Transition structures for hydride transfer reactions in vacuo and their role in enzyme catalysis

    Part of Journal of Molecular Structure: THEOCHEM, p. 299-312, 1996.