The pdf version of some of the
listed publications are accessible by clicking on the blue
hyperlink
BOOKS (Edited)
1.
Matta, C.F. (2009). "Quantum Biochemistry: Electronic Structure
and Biological Activity". Wiley-VCH, Weinheim. (Two Volumes, 32
chapters, 82 authors, 978 pages).
2.
Matta, C.F. and Boyd, R.J., Eds. (2007). "The Quantum Theory of Atoms in Molecules:
From Solid State to DNA and Drug Design".
Wiley-VCH, Weinheim. (One Volume, 19 Chapters, 50 authors, 567 pages).
3. 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 Henri Poincaré (Nancy - I), Nancy,
France (223
pages).
4. Matta, C.F. (2002).
“Applications of the Quantum Theory of
Atoms in Molecules to Chemical and Biochemical Problems”, Ph.D. Thesis, McMaster
University, Hamilton, Canada. (323 pages).
5.
Matta,
C. F. (2010) “Reflections on Quantum Biochemistry: From Context to Contents” in:
Matta, C. F. (Ed.) Quantum Biochemistry:
Electronic Structure and Biological Activity, Wiley-VCH, Weinheim, in press
6.
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: Matta, C.F. (Ed.) Quantum
Biochemistry: Electronic Structure and Biological Activity, Wiley-VCH,
Weinheim, in press.
7.
Matta,
C. F. (2010) “From atoms in amino acids to the genetic code and protein
stability, and backwards”, Chapter 14 in: Matta, C. F. (Ed.) Quantum Biochemistry: Electronic Structure
and Biological Activity, Wiley-VCH, Weinheim, in press.
8.
Arabi,
A. A.; Matta, C. F. (2010) “Energy richness of ATP in terms of atomic energies:
A first step”, Chapter 15 in: Matta, C. F. (Ed.) Quantum Biochemistry: Electronic Structure and Biological Activity,
Wiley-VCH, Weinheim, in press.
9.
Massa, L.; Matta, C. F.; Yonath, A.;
Karle, J. (2010) “Quantum transition state for peptide bond formation in the
ribosome”, Chapter 16 in: Matta, C. F. (Ed.) Quantum Biochemistry: Electronic Structure and Biological Activity,
Wiley-VCH, Weinheim, in press.
10. 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.
11. Matta, C. F. (2006). "Chapter 9: Hydrogen¾hydrogen bonding: The non-electrostatic limit of
closed-shell interaction between two hydrogen atoms. A critical review".
In. Grabowski S. (Ed.): Hydrogen Bonding
- New Insight, (Challenges and
Advances in Computational Chemistry and Physics Series), Springer, pp. 337-375.
12. Matta C.F. (2005) “Chapter 23:
Computational chemistry: A powerful and inexpensive tool for basic and applied
research in the life sciences”, in: Discovery
to Delivery: BioVision Alexandria 2004 (Proceedings
of the Conference of The World Biological Forum), Serageldin, I. and
Persley, G. J. (Eds.), CABI Publishing. pp.261-272.
13. Bader, R. F. W.; Matta, C. F.;
and Martín, F. J. (2003). "Chapter 7: Atoms in
medicinal chemistry", in: Medicinal
Quantum Chemistry, Alber, F. and Carloni, P. (Eds.); Methods and Principles in Medicinal Chemistry Series, Wiley-VCH,
Weinheim. pp. 201-232.
REFEREED ARTICLES/PAPERS (Published
or submitted only) [38]
14. Matta, C. F.; Arabi, A. A.; Weaver, D. F. (2010). “The bioisosteric
similarity of the tetrazole and carboxylate anions: Clues from the topologies
of the electrostatic potential and of the electron density”, European Journal of Medicinal Chemistry,
accepted for publication, in the press.
15. Matta, C. F. (2010). “How
dependent are molecular and atomic properties on the electronic structure
method? Comparison of Hartree-Fock, DFT, and MP2 on a biologically-relevant set
of molecules”, Journal of Computational
Chemistry 30, accepted for
publication, in press.
16. Matta, C. F. and Massa, L. (2010). “The Peptide Bond Formation in the
Ribosome: Evidence for a Direct rather than a Shuttle Mechanism”. (Near
submission).
17. Arabi, A. A.; Matta, C. F.
(2009). “Where is Electronic Energy Stored in Adenosine
Triphosphate?” Journal of Physical
Chemistry A 113, 3360-3368.
18. Matta, C.
F.; Arabi, A., Keith, T. A. (2007). “Atomic contributions to the dissociation energy of
the P-O(H) Bond in hydrogen phosphate anion (HPO42-):
Disentangling the effect of Mg2+”, Journal of Physical Chemistry A
111, 8864-8872.
19. Taylor, A.; Matta, C. F.; Boyd,
R. J. (2007). “The hydrated electron as a
pseudo-atom in cavity-bound water clusters”, Journal of Chemical Theory and Computation 3, 1054-1063.
20. Hernández-Trujillo, J.; Matta
C. F. (2007) “Hydrogen-hydrogen bonding in biphenyl revisited”, Structural Chemistry 18, 849-857.
21. Wolstenholme, D.; Matta, C. F.;
Cameron, T. S. (2007) “Experimental and theoretical charge density study of a
highly twisted polycyclic aromatic hydrocarbon: 4-Methyl-[4]helicene”. Journal of Physical Chemistry A 111, 8803-8813.
22. Matta, C.
F., Castillo, N., Boyd, R. J. (2006). “Atomic contributions to bond dissociation energies
in aliphatic hydrocarbons”, Journal of Chemical
Physics. 125, 204103-(1-13).
23. Zhurova, E. A.; Matta, C.F.;
Wu, N.; Chen, Y.-S., Pinkerton, A. A. (2006). “Experimental
and theoretical electron density study of estrone”. Journal of the American Chemical Society, 128, 8849-8861. (SUPPLEMENTARY INFORMATION)
24. Bandrauk, A. D.; Sedik, E. S.; Matta, C. F. (2006)
“Laser Control of Reaction Paths in Ion-Molecule Reactions”, Molecular Physics, 104, 95-102.
25. Matta, C.F.;
Castillo, N.; Boyd, R. J. (2006). "Extended weak bonding interactions in DNA:
pi-stacking (base-base), base-backbone, and backbone-backbone
interactions", Journal of Physical
Chemistry B 110, 563-578.
26. Matta, C. F.; Bader, R. F. W. (2006). “An experimentalist’s reply to “What is an atom in a
molecule?” ”, Journal of Physical
Chemistry A 110, 6365-6371.
27. Dobrin, S.; Harikumar, K. R.; Matta, C. F.; Polanyi,
J. C. (2005). “An STM study of the localized atomic
reaction of 1,2 and 1,4-dibromoxylene at Si(111) 7x7”, Surface Science 580,
39-50.
28. Matta, C.
F.; Castillo, N.; Boyd, R. J. (2005). " The characterization of a closed-shell
fluorine-fluorine bonding interaction in aromatic compounds on the basis of the
electron density", Journal of
Physical Chemistry A; 109,
3669-3681.
29. Castillo,
N.; Matta, C.F.; Boyd, R. J. (2005). "Fluorine-fluorine spin-spin coupling constants:
Correlations with the delocalization index and with the internuclear
separation", Journal of Chemical
Information and Modeling; 45,
354-359.
30. Castillo, N., Matta, C. F., Boyd, R. J. (2005). “A cage critical point in a
single ring with a twisted helical topology”. Chemical Physics Letters; 409,
265-269.
31. Matta, C.F.; Polanyi, J. C.
(2004). "Effect of adatom-to-adatom separation on the
reactivity of dihalobenzenes at Si(111)7x7 surfaces: chemistry on a peg-board". Philosophical
Transactions of the Royal Society of London 362, 1185-1194 (10).
32.
Bandrauk, A. D.; Sedik, E. S.;
Matta, C.F. (2004) “Effect of absolute laser phase on reaction paths in
laser-induced chemical reactions”, Journal
of Chemical Physics, 121,
7764-7775.
33. Bader, R. F. W.; Matta, C.F.; Cortés-Guzmán, F. (2004). “Where to draw the line in
defining a molecular structure”, Organometallics,
23, 6253-6263.
34. Bader, R. F. W; Matta, C.F. (2004). “Atomic charges are measurable quantum expectation values:
A rebuttal of criticisms of QTAIM charges“, The
Journal of Physical Chemistry A 108,
8385-8394.
35. Matta, C. F.; Hernández-Trujillo, J.; Tang,
T.-H.; and Bader,
R.F.W. (2003). “Hydrogen-hydrogen bonding: a stabilizing interaction in
molecules and crystals”, Chemistry - A
European Journal 9, 1940-1951.
36. Matta, C. F. and Hernández-Trujillo, J. (2003).
"Bonding in polycyclic aromatic hydrocarbons in terms of the electron
density and of the electron pair density ". The Journal of Physical Chemistry A 107,
7496-7504.
37.
Wang, Y.-G.; Matta, C. F.;
Werstiuk, N. H. (2003). "Comparison of localization and delocalization
indices obtained with Hartree-Fock and conventional correlated methods: Effect
of Coulomb correlation". Journal of
Computational Chemistry 24,
1720-1729.
38. Matta, C.F. and Bader, R.F.W.
(2003). “Atoms-in-molecules study of the genetically-encoded amino acids. III.
Bond and atomic properties and their correlations with experiment including
mutation-induced changes in protein stability and genetic coding”, Proteins: Structure, Function, and Genetics
52, 360-399.
39.
Matta, C. F. (2003). “Application of the quantum theory of
atoms in molecules to selected physicochemical and biophysical problems: focus
on correlation with experiment”, Journal
of Computational Chemistry 24,
453-462. (Invited Review, Special Issue
on Electron Densities and Electrostatic Potentials).
40.
Matta, C.F.; Cow, C. N.; and Harrison, P. H. M. (2003).
"Twisted amides: x-ray crystallographic and theoretical study of two
acylated glycolurils with aromatic substituents". The Journal of Molecular Structure 660,
81-97.
41. Matta, C. F.; Hernández-Trujillo,
J.; and Bader,
R.F.W. (2002). “Proton spin-spin coupling and electron delocalization”, The Journal of
Physical Chemistry A 106, 7369-7375.
42. Matta, C.F. and Bader, R.F.W.
(2002). “Atoms-in-molecules study of the genetically- encoded amino acids. II.
Computational study of molecular geometries”, Proteins: Structure, Function, and Genetics 48, 519-538.
43.
Matta, C.F. and Gillespie, R. J. (2002)
“Understanding and interpreting molecular electron density distributions” The Journal of Chemical Education 79, 1141-1152.
44. Matta, C.F. (2001). “Theoretical reconstruction of the electron density of large molecules
from fragments determined as proper open quantum systems: The properties of
morphine, the oripavine PEO, and enkephalins”. The Journal of Physical Chemistry A 105,
11088-11101.
45. Bader, R.F.W. and Matta, C.F.
(2001). “Properties of atoms in crystals: dielectric polarization.” International Journal of Quantum Chemistry
85, 592-607.
46. Bader, R.F.W.; Matta, C.F. (2001). “Bonding to titanium”, Inorganic
Chemistry 40, 5603-5611.
47.
Duspara, P.A.; Matta, C.F.; Jenkins, S.I.; and Harrison, P.H.M. (2001). “Twisted amides: Synthesis and
structure of 1,6-dipivaloyl-3,4,7,8-tetramethyl-2,5-dithioglycoluril”. Organic Letters 3, 495-498.
48.
Gillespie,
R. J. and Matta, C.F. (2001). "Teaching the VSEPR model
and electron densities", Chemistry
Education: Research and Practice In Europe.
2(2), 73-90.
49.
Matta, C.F. and Bader, R.F.W. (2000). “An atoms-in-molecules
study of the genetically-encoded amino acids. I. Effects of conformation and of
tautomerization on geometric, atomic, and bond properties”. Proteins: Structure, Function, and Genetics 40, 310-329.
50. Matta, C.F.; Cow, C.C., Sun, S.; Britten, J.F.; and Harrison,
P.H.M. (2000). “Twisted amides: Crystal
and optimized structures, and molecular geometry analysis of
1-acetyl-3,4,7,8-tetramethylglycoluril
and1,6-diacetyl-3,4,7,8-tetramethyl-glycoluril”. The Journal of Molecular Structure 523, 241-255.
51. Sun, S.; Britten, J.F.; Cow, C.C.; Matta, C.F.; and Harrison,
P.H.M. (1998). “The crystal structure of 3,4,7,8-tetramethylglycoluril”. Canadian Journal of Chemistry 76, 301-306.
52. Matta, C.F. (1991). “L'effet
tunnel: quelques applications”. Bulletin
de l'Union des Physiciens (Paris),
734, 737-749. (In French).
1.
Matta, C. F. (2001). QCPE
0801. FRAGDIP: Program to
calculate functional group contributions to the molecular dipole moment.
(Written in Turbo Pascal).
2.
Matta, C. F. (2001). QCPE
0802. AIMDELOC: Program to calculate the AIM electron localization and
delocalization indices from the Fermi hole density. (Written in UNIX
Shell-scripting language).
1. Matta, C. F. and
Brukhardt, S. (2005) "Cellular
Telephones: A Risk to Public Health?", CPHA Health Digest (official quarterly publication of the Canadian Public Health Association),
Volume XXIX, No.1, p.4.
2. Matta, C. F. and Brukhardt, S.
(2003) "Health Hazards of Cellular
Telephones: The Myth and the Reality", an Ontario Public Health Association Position Paper, pp.1-22,
(PP#2003-02).