ORDER:

  • Books
  • Theses
  • Book Chapters
  • Guest Editor for Special Issues of Journals & Themed Collections
  • Journal Articles/Papers
  • Computer Software


Books

Matta, C. F.; Ayers, P. W.; Cook, R. (2024). Electron Localization-Delocalization Matrices, Lecture Notes in Chemistry 112, Springer, Berlin. (239 pages). (Book Review: Massa, L. (2025) Journal of Computational Chemistry 46(5), e70048). (Link)

Matta, C. F.; Huang, L.; Massa, L. (2023). Quantum Crystallography, De Gruyter. (215 pages). (Book Review: Hargittai, I. (2024) Structural Chemistry 35, 1341-1343). (Link)

Matta, C. F., (Ed.) (2010). Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 1 and 2), Wiley-VCH, Weinheim. (978 pages).

Matta, C. F.; Boyd, R. J. (Eds.) (2007). The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design, Wiley-VCH, Weinheim, (567 pages).

Theses / Dissertations

Matta C. F. (2009), The Response of Molecular Charge Density Distributions to Changes in the External Potential, HDR Dissertation (Habilitation à diriger des recherches), Université de Lorraine (formerly Univ. Henri Poincaré), Nancy, France (223 pages).

Matta, C. F. (2002), Applications of the Quantum Theory of Atoms in Molecules to Chemical and Biochemical Problems, PhD Thesis, McMaster University, Hamilton, Canada. (323 pages).

Book Chapters 

Matta, C. F. (2024). Sur la transdisciplinarité de la théorie des graphes et des réseaux [Trans : On the transdisciplinarity of graph and network theory], in: Transdisciplinarité et évolution des savoirs: une introduction, Proceedings of a Symposium « Transdisciplinarité et évolution des savoirs : fondements et pratiques » as part of the 90th ACFAS Congress, Montréal 2023, Vadean, M.T.; Zaiane-Ghalia, S.; Scarpulla, M. (Eds.), Université Saint-Paul, Ottawa. (Link).

Matta, C. F. (2023). Electron localization-delocalization matrices (LDMs), in: Comprehensive Computational Chemistry Volume 2, Boyd, R. J.; Yáñez (Eds.), Elsevier, The Netherlands. (pp. 82-94). (Link).

Anderson, J. S. M.; Mortera-Carbonell, A. d.-J.; Matta, C. F. (2023). Non-nuclear maxima in the molecular electron density, Chapter 14 in: Advances in Quantum Chemical Topology Beyond QTAIM, Anderson, J. S. M.; Cortés-Guzmán, F.; Rodríguez, J. I. (Eds.), Elsevier, The Netherlands. (pp. 375-388).

Massa, L.; Castanedo, L. A. M.; Fahimi, P.; Matta, C. F. (2023). Applications of in-silico quantum chemical calculations to large systems: The kernel energy method, Chapter 7 in: In-silico Approaches to Macromolecular Chemistry, Thomas, M. E.; Thomas, J.; Thomas, S.; Kornweitz, H. (Eds.), Elsevier, The Netherlands. (pp. 199-215).

Massa, L.; Fahimi, P.; Castanedo, L. A. M.; Matta, C. F. (2023) “In silico approaches and challenges for quantum chemical calculations on macromolecules”, Chapter 6 in: In-silico Approaches to Macromolecular Chemistry, Thomas, M. E.; Thomas, J.; Thomas, S.; Kornweitz, H. (Eds.), Elsevier, The Netherlands. (pp. 185-197).

Lombardi, O.; Matta, C. F. (2022). Coarse-graining and the quantum theory of atoms in molecules, Chapter 10 in: Philosophical Perspectives on Quantum Chemistry, Lombardi, O.; Martínez González J. C.; Fortin, S. (Eds.), Springer Nature Switzerland AG (pp. 217-241).

Matta, C. F.; Bandrauk, A. D. (2021). An Introduction to laser-fields effects on chemical reactivity, Chapter 11 in: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry, Shaik, S; and Stuyver, T. (Eds.), The Royal Society of Chemistry, London (pp. 394-419).

Sowlati-Hashjin, S.; Karttunen, M.; Matta, C. F. (2021). Electrostatic fields in biophysical chemistry, Chapter 7 in: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry, Shaik, S; and Stuyver, T. (Eds.), The Royal Society of Chemistry, London (pp. 225-262).

García-Ramos, J. C.; Cortés-Guzmán, F.; Matta, C. F. (2018). On the nature of hydrogen-hydrogen bonding, Chapter 16 in: Intermolecular Interactions in Molecular Crystals: Fundamentals of Crystal Engineering, Novoa, J. J. (Ed.), Royal Society of Chemistry, London, UK. (pp. 559-594).

Matta, C. F.; Massa, L. (2017). Information theory and the thermodynamic efficiency of biological sorting systems: Case studies of the kidney and of mitochondrial ATP-synthase, Chapter 1 in: Sustained Energy For Enhanced Human Functions and Activity, Bagchi, D. (Ed.), Academic Press – An imprint of Elsevier, London. (pp. 3-29).

Matta, C. F.; Sumar, I.; Cook, R.; Ayers, P. W. (2016). Localization-delocalization and electron density-weighted connectivity matrices: A bridge between the quantum theory of atoms in molecules and chemical graph theory, Chapter 3 in: Applications of Topological Methods in Molecular Chemistry (Springer book series: Challenges and Advances in Computational Chemistry and Physics (Vol. 22)), Chauvin, R; Lepetit, C.; Silvi, B.; Alikhani, E. (Eds.), Springer, Switzerland (pp. 53-88).

Matta, C. F. (2010). Reflections on quantum biochemistry: From context to contents, Editorial chapter in: Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 1), Matta, C. F. (Ed.), Wiley-VCH, Weinheim (pp. XI-L).

Bohórquez, H. J.; Cárdenas, C.; Matta, C. F.; Boyd, R. J.; Patarroyo, M. E. (2010). Methods in biocomputational chemistry: A lesson from the amino acids, Chapter 13 in: Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 1), Matta, C. F. (Ed.), Wiley-VCH, Weinheim (pp.403-422).

Matta, C. F. (2010). From atoms in amino acids to the genetic code and protein stability, and backwards, Chapter 14 in: Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 1), Matta, C. F. (Ed.), Wiley-VCH, Weinheim (pp. 423-472).

Arabi, A. A.; Matta, C. F. (2010). Energy richness of ATP in terms of atomic energies: A first step, Chapter 15 in: Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 1), Matta, C. F. (Ed.), Wiley-VCH, Weinheim (pp. 473-498).

Massa, L.; Matta, C. F.; Yonath, A., Karle, J. (2010). Quantum transition state for peptide bond formation in the ribosome, Chapter 16 in: Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 2), Matta, C. F. (Ed.), Wiley-VCH, Weinheim (pp. 501-516).

Matta, C. F.; Boyd, R. J. (2007). Introduction to the quantum theory of atoms in molecules, Chapter 1 in: Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design, Matta, C. F. and Boyd, R. J. (Eds.), Wiley-VCH, pp.1-34.

Matta, C. F. (2006). Hydrogen-hydrogen bonding: The non-electrostatic limit of closed-shell interaction between two hydrogen atoms. A critical review, Chapter 9 in: Hydrogen Bonding – New Insight, (Challenges and Advances in Computational Chemistry and Physics Series), Grabowski S. (Ed.), Springer, pp. 337-375.

Matta C. F. (2005). Computational chemistry: A powerful and inexpensive tool for basic and applied research in the life sciences, Chapter 23 in: Discovery to Delivery: BioVision Alexandria 2004 (Proceedings of the World Biological Forum), Serageldin, I. and Persley, G. J. (Eds.), CABI Publishing, pp. 261-272.

Bader, R. F. W.; Matta, C. F.; and Martín, F. J. (2003). Atoms in medicinal chemistry, Chapter 7 in: Medicinal Quantum Chemistry (Methods and Principles in Medicinal Chemistry Series), Alber, F. and Carloni, P. (Eds.), Wiley-VCH, Weinheim, pp. 201-232.

Guest Editor for Special Issues of Journals & Themed Collections

Guest Editor: Matta, C. F. (2026). “Special Issue: Honoring Professor Russell J. Boyd” Journal of Computational Chemistry. (In Progress).

Invited Editorial and scientific commentary: Matta, C. F. (2026) EDITORIAL: Revisiting mitochondrial temperature: steady-state heat transfer or non-steady-state dynamics?”, Acta Physiologica, submitted.

Invited Editorial and scientific commentary: Matta, C. F. (2025). Invited Scientific Commentary: “Pushing Crystallography’s Frontiers through Quantum Mechanics”, Acta Crystallographica B 81 (Part 2), 161-163. [Invited].

Guest Editor: Matta, C. F. (2026). “Electron Localization and Delocalization: From Fundamentals to Applications” Structural Chemistry. (Link) (In Progress).

Guest Editors: Brovarets, O. O.; Hovorun, D. M.; Matta, C. F.; Pérez-Sanchez, H. (2020). Themed Article Collection: “Proton Transfer Processes in Biological Reactions: A Computational Approach” Frontiers in Chemistry (DOI: 10.13140/RG.2.2.21042.45765). (7 articles by 33 authors).

Guest Editors: Matta, C. F.; Hutter, M. (2018). “Special Focus Issue: Computational Chemistry” Future Medicinal Chemistry, Volume 10, Issue 13 (July 2018), pp. 1517-1635. (12 articles by 34 authors).

Guest Editors: Matta, C. F.; Massa, L. (2018). “Special Issue: Quantum Crystallography – PART 2 of 2” Journal of Computational Chemistry, Volume 39, Issue 18 (5 July 2018), pp. i, 1077-1167. (8 articles by 27 authors).

Guest Editors: Matta, C. F.; Massa, L. (2018). “Special Issue: Quantum Crystallography – PART 1 of 2 ” Journal of Computational Chemistry, Volume 39, Issue 17 (30 June 2018), pp. i, 1013-1075. (8 articles by 11 including the last article by Professor Robert G. Parr published posthumously).

Guest Editor: Matta, C. F. (2017). “Special Issue: Honoring Professor Lou Massa – A Path through Quantum Crystallography” Structural Chemistry, Volume 28, Issue 5 (October 2017), pp. 1277-1605 (33 articles by 84 authors including an article by Nobel Laureate Ada Yonath). (Link)

Guest Editor: Matta, C. F. (2014). “Special Issue (Part 2 of 2): Philosophical Aspects and Implications of the Quantum Theory of Atoms in Molecules” Foundations of Chemistry, Volume 16, Issue 1 (April 2014), pp. 1-84 (4 articles). (Link)

Guest Editor: Matta, C. F. (2013). “Special Issue (Part 1 of 2): Philosophical Aspects and Implications of the Quantum Theory of Atoms in Molecules” Foundations of Chemistry, Volume 15, Issue 3 (October 2013), pp.243-341 (8 articles). (Link)

Guest Editor: Matta, C. F. (2011). “Professor Richard F. W. Bader Festschrift” The Journal of Physical Chemistry A Vol. 115, No. 54 (17 November 2011), pp. 12427-13209 (80 articles by 450 authors). (Link)

Journal Articles/Papers