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ORDER:

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

 

BOOKS (Published)

[2]

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

[1]

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, (567 pages).

 

 

 

BOOKS (Forthcoming)

[2]

Matta, C. F. (to appear in 2018). Thermodynamics in Biochemistry: Processes, Energetics, and Control, Wiley-VCH, Weinheim.

[1]

Cook, R.; Sumar, I.; Ayers, P. W.; Matta, C. F. (to appear in 2017). Electron Localization-Delocalization Matrices (LDMs): Theory and Applications, Springer.

 

 

 

THESES

[2]

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-1), Nancy, France (223 pages).

[1]

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

[12]

Matta, C. F.; Massa, L. (2017) “Information Theory and the Thermodynamic Efficiency of Biological Sorting Systems: Case Studies of the Kidney and the Mitochondrial ATP-Synthase”, in: Sustained Energy For Enhanced Human Functions And Physical Activity, Bagchi, D. (Ed.), Elsevier, Amsterdam. (Accepted, in press).

[11]

García-Ramos, J. C.; Cortés-Guzmán, F.; Matta, C. F. (2017) “On the Nature of Hydrogen-Hydrogen Bonding” in: Intermolecular Interactions in Molecular Crystals, Novoa, J. (Ed.), Royal Society of Chemistry, London, Great Britain. (Accepted, in press).

[10]

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).

[9]

Matta, C. F. (2010) “Reflections on Quantum Biochemistry: From Context to Contents” in: Quantum Biochemistry: Electronic Structure and Biological Activity (Vol. 1), Matta, C. F. (Ed.), Wiley-VCH, Weinheim (pp. XI-L).

[8]

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).

[7]

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).

[6]

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).

[5]

Massa, L.; Matta, C. F.; Yonath, A.([1]), Karle, J.([2]) (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).

[4]

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.

[3]

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 PhysicsSeries), Grabowski S. (Ed.), Springer, pp. 337-375.

[2]

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.

[1]

Bader, R. F. W.; Matta, C. F.; and Martín, F. J. (2003). “Atoms in medicinal chemistry”, in: 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

[5]

Guest Editor:Matta, C. F. (to appear in January 2018). ”Special Issue:Quantum CrystallographyJournal of Computational Chemistry, in final stages of preparation.

[4]

Guest Editor: Matta, C. F. (scheduled for Sept. 2017). ”Special Issue to Honor Lou Massa: A Path through Quantum CrystallographyStructural Chemistry, in production.

[3]

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

[2]

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

[1]

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). (Link)

 

 

 

JOURNAL ARTICLES/PAPERS

[91]

Matta, C. F. (2017). “La théorie quantique des atomes dans les molécules : une théorie de la chimie dans l'espace réel tridimensionnel” [in French] (The quantum theory of atoms in molecules: A theory of chemistry in the real three-dimensional space), Bulletin de l’union des physiciens (Paris), accepted, in press.

[90]

Macetti, G.; Gatti, C.; Boyd, R. J.; Matta, C. F. (2017). “A source function study of the electron density of DNA Watson-Crick base pairs in their neutral and ionized ground states”, submitted.

[89]

Braden, D. A.; Matta, C. F. (2017). A QTAIM-based Explanation for the Unusual Synclinal Conformation of Some Substituted Butadienes, Biphenyls, and Styrenes”, submitted.

[88]

Matta, C. F. (2017). “Guest Editorial: A Path through Quantum Crystallography: A Short Tribute to Professor Lou Massa”, Structural Chemistry, published online, in press. (Link)

[87]

Matta, C. F. (2017). “On the connections between the quantum theory of atoms in molecules (QTAIM) and density functional theory (DFT): A letter from Richard F. W. Bader to Lou Massa”, Structural Chemistry, published online, in press. (Link)

[86]

Terrabuio, L. A.; da Silva, N. A.; Haiduke, R. L. A.; Matta, C. F. (2017). Real Space Atomic Decomposition of Fundamental Properties of Carbon Monoxide in the Ground and Two Low-Lying Excited Electronic States”, Molecular Physics (Special Issue - INVITED), published online, in press. (Link)

[85]

Matta, C. F. (2017). “El camino de enlace cuarenta años después de su descubrimiento: Una manifestación del enlace químico en el espacio real” [in Spanish] (The bond path forty years after its discovery: A manifestation of chemical bonds in real space), Anales de Química (Spain)113, 36-39. (Link)

[84]

Rochette, E.; Bouchard, N.; Lavergne, J. L.; Matta, C. F.; Fontaine, F. G. (2016). "Spontaneous reduction of a hydroborane to generate a B-B single bond using a frustrated Lewis pair" Angewandte Chemie International Edition 55, 12722-12726. (Link)

[83]

Matta, C. F. (2016). Drawing a line under the chemical bond”, Chemistry World13, (No. 10 (October)), 65. (Link)

[82]

Terrabuio, L. A.; Haiduke, R. L. A.; Matta, C. F. (2016). "Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states" Chemical Physics Letters 655-656, 92-102.

[81]

Terrabuio, L. A.; Haiduke, R. L. A.; Matta, C. F. (2016). "Difluorodiazirine (CF2N2): A Quantum Mechanical Study of the Electron Density and ofthe Electrostatic Potential in the Ground- and First Excited-Electronic States" Theoretical Chemistry Accounts 135: 63 (pp. 1-16). (Link)

[80]

Terrabuio, L. A.; Teodoro, T. Q.; Matta, C. F.; Haiduke, R. L. A. (2016). "An investigation of non-nuclear attractors in heteronuclear diatomic systems" Journal of Physical Chemistry A 120, 1168-1174. (Link)

[79]

Arabi, A. A.; Matta, C. F. (2016). "Bioisosteric groups in methylsquarate and carboxylic acid: The similarities of their electrostatic potentials and average electron densities" Future Medicinal Chemistry 8, 361-371. (Link)

[78]

Rodríguez, J. I.; Matta, C. F.; Molina-Brito, B.; Götz A. W. (2016). "A QTAIM topological analysis of the P3HT-PCBM dimer" Chemical Physics Letters 644, 157-162. (Link)

[77]

Sumar, I.; Cook, R.; Ayers, P. W.; Matta, C. F.  (2016). "Aromaticity of rings-in-molecules (RIMs) from electron localization-delocalization matrices (LDMs)" Physica Scripta91, 013001 (13 pp). (Link)

[76]

Matta, C. F.; Sadjadi, S.; Braden, D. A.; Frenking, G. (2016). "The barrier to the methyl rotation in cis-2-butene and its isomerization energy to trans-2-butene revisited" Journal of Computational Chemistry 37, 143-154. (Link)

[75]

Matta, C. F.; Massa, L. (2015). "The energy equivalence of information in the mitochondrion and the thermodynamic efficiency of ATP synthase" Biochemistry54, 5376-5378. (Link)

[74]

Huang, L.; Matta, C. F.; Massa, L. (2015). "The kernel energy method (KEM) delivers fast and accurate QTAIM electrostatic charge for atoms in large molecules" Structural Chemistry 26, 1433-1442. (Link)

[73]

Sumar, I.; Cook, R.; Ayers, P. W.; Matta, C. F. (2015). "AIMLDM: A Program to Generate and Manipulate Electron Localization-Delocalization Matrices (LDMs)" Computational and Theoretical Chemistry 1070, 55-67. (Link)

[72]

Lecomte, C.; Espinosa, E.; Matta, C. F. (2015). "On atom-atom “short contact” bonding interactions in crystals"; International Union of Crystallography Journal (IUCrJ) 2, 161–163. (Link)

[71]

Huang, L.; Matta, C. F.; Wallace, S.; Massa, L.; Bernal, I. (2015). "A unique trapping by crystal forces of a hydronium cation displaying a transition state structure" Comptes Rendus Chimie 18, 511-515. (Link)

[70]

Matta, C. F. (2014). "Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization, and electrostatic potential"; Journal of Computational Chemistry 35, 1165-1198. [Invited “Feature Article”, journal cover theme]. (Link)

[69]

Timm, M.; Matta, C. F. (2014). “Primary retention following nuclear recoil in β-decay: Proposed synthesis of a metastable rare gas oxide (38ArO4) from (38ClO4) and the evolution of chemical bonding over the nuclear transmutation reaction path"; Applied Radiation and Isotopes 94, 206-215. (Link)

[68]

Timm, M. J.; Matta, C. F.;* Massa, L.; Huang, L. (2014). “The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments” Journal of Physical Chemistry A 118, 11304-11316. (Link)

[67]

Sumar, I.; Ayers, P. W.; Matta, C. F. (2014). "Electron localization and delocalization matrices in the prediction of pKa's and UV-wavelengths of maximum absorbance of p-benzoic acids and the definition of super-atoms in molecules" Chemical Physics Letters612, 190-197. (Link)

[66]

Matta, C. F. (2014). "Localization-delocalization matrices: a molecular fingerprinting tool of potential utility in computational medicinal chemistry", Future Medicinal Chemistry6, 1475-1479. (Link)

[65]

Huang, L.; Matta, C. F.; Massa, L. (2014). "A graphene flake under external electric fields reconstructed from field-perturbed kernels"; Carbon 76, 310-320. (Link)

[64]

Dittrich, B.; Matta, C. F. (2014). "Contributions of charge-density research to medicinal chemistry"; International Union of Crystallography Journal (IUCrJ)1, 457-469. [Invited “Feature Article”] (Link)

[63]

Sowlati-Hashjin, S.; Matta, C. F. (2013) "The chemical bond in external electric fields. energies, geometries, and vibrational Stark shifts in diatomic molecules"; Journal of Chemical Physics 139, 144101 (1-14). (Link)

[62]

Matta, C. F.; Sowlati-Hashjin, S.; Bandrauk, A. D. (2013). "Dipole moment surfaces of the CH4 + •X → CH3• + HX (X = F, Cl) reactions from atomic dipole moment surfaces, and the origins of the sharp extrema of the dipole moments near the transition states"; Journal of Physical Chemistry A 117, 7468-7483. (Link)

[61]

Sadjadi, S.; Matta, C. F.; Hamilton, I. P. (2013). "Chemical bonding in groups 10, 11, and 12 transition metal homodimers: An electron density study", Canadian Journal of Chemistry 91, 583-590. (Link)

[60]

Bensasson, R.; Sowlati-Hashjin, S.; Zoete, V.; Dauzonne, D.; Matta, C. F. (2013). "Physicochemical properties of exogenous molecules correlated with their biological efficacy as protectors against carcinogenesis and inflammation", International Reviews in Physical Chemistry 32, 393-434. [Financial reward was received from the journal based on referees’ evaluations]   (Link)

[59]

Groves, B. R.; Crawford, S. M.; Lundrigan, T.;  S. Sowlati-Hashjin; Matta, C. F.; Thompson, A. (2013). " Synthesis and characterisation of the unsubstituteddipyrrin and 4,4-dichloro-4-bora-3a,4a-diaza-s-indacene:improved synthesis and functionalisation of thesimplest BODIPY framework ", Chemical Communications49, 816-818. (Link)

[58]

Matta, C. F. (2013). "Philosophical aspects and implications of the quantum theory of atoms in molecules (QTAIM)", Foundations of Chemistry15, 245-251.(Link)

[57]

Bader, R. F. W.; Matta, C. F. (2013). "Atoms in molecules as non-overlapping, bounded, space-filling open quantum systems", Foundations of Chemistry15, 253-276. (Link)

[56]

Bendeif, E.-E.; Matta, C. F.; Stradiotto, M.; Fertey, P.; Lecomte, C. (2012). "Can a formally zwitterionic rhodium(I) complex emulate the charge density of a cationic rhodium(I) complex? A combined synchrotron X-ray and theoretical charge density study", Inorganic Chemistry51, 3754-3769. (Link)

[55]

Wallace, S.; Huang, L.; Matta, C. F.; Massa, L.; Bernal, (2012). I. "New structures of hydronium cation clusters", Comptes Rendus Chimie15, 700-707. [Cover Feature]. (Link)

[54]

Matta, C. F.; Huang, L.; Massa, L. (2012). "Local intense cellular electric fields and their relevance in the computational modeling of biochemical reactions", Future Medicinal Chemistry 4, 1873-1875. (Link)

[53]

Arabi, A. A.; Matta, C. F. (2011). “Effects of external electric fields on double proton transfer kinetics in the formic acid dimer”, Physical Chemistry Chemical Physics (PCCP) 13, 13738-13748. (Link)

[52]

Matta, C. F.; Sichinga, M.; Ayers, P. W. (2011). “Information theoretic properties from the quantum theory of atoms in molecules” Chemical Physics Letters 514, 379-383.

[51]

Sadjadi, A.; Matta, C. F.; Lemke, K.; Hamilton, I. P. (2011). “Relativistic-consistent electron densities of the coinage metal clusters M2, M4, M42-, M4Na2 (M = Cu, Ag, Au): A QTAIM Study” Journal of Physical Chemistry A 115, 13024–13035. (Link)

[50]

Bohorquez, H.; Boyd, R. J.; Matta, C. F. (2011). Molecular model with quantum mechanical bonding information, Journal of Physical Chemistry A115, 12991–12997. (Link)

[49]

Matta, C. F.; Huang, L.; Massa, L. (2011). “The characterization of a trihydrogen bond on the basis of the topology of the electron density”, Journal of Physical Chemistry A 115, 12451–12458. (Link)

[48]

Huang, L.; Matta, C. F.; Massa, L. (2011). “Ion induced dipole clusters Hn (3 ≤ n-odd ≤ 13): Density functional theory calculations of structure and energy, Journal of Physical Chemistry A115, 12445–12450. (Link)

[47]

Matta, C. F.; Arabi, A. A. (2011). “Electron density descriptors as predictors in quantitative structure-to-activity/property-relationships (QSAR/QSPR)”, Future Medicinal Chemistry3, 969-994. [Invited]. (Link)

[46]

Cukrowski, I.; Matta, C. F. (2011). “Protonation sequence of linear aliphatic polyamines from intramolecular atomic energies and charges”, Computational and Theoretical Chemistry 966, 213-219. (Link)

[45]

Huang, L.; Bohorquez, H.; Matta, C. F.; Massa, L. (2011). “The kernel energy method: Application to graphene and extended aromatics”, International Journal of Quantum Chemistry 111, 4150–4157. (Link)

[44]

Matta, C. F.; Massa, L., Keith T. A.  (2011). “Richard F. W. Bader: A True Pioneer”, Journal of Physical Chemistry A 115, 12427-12431. (Link)

[43]

Matta, C. F.; Massa, L. (2011). “Subsystem quantum mechanics and in-silico medicinal and biological chemistry”, Future Medicinal Chemistry3, 1971–1974.(Link)

[42]

Matta, C. F.; Massa, L; Gubskaya, V. A.; Knoll, E. (2011) “Can one take the logarithm or the sine of a dimensioned quantity or a unit? Dimensional analysis involving transcendental functions”, Journal of Chemical Education88, 67–70. (Link)

[41]

Cukrowski, I; Matta, C. F. (2010). “Hydrogen-hydrogen bonding: A stabilizing interaction in strained chelating rings of metal complexes in aqueous phase”, Chemical Physics Letters 499 66–69. (Link)

[40]

Walker, V. E. J.; Castillo, N.; Matta, C. F.; Boyd, R. J. (2010) “The effect of multiplicity on the size of iron (II) and the structure of iron (II) porphyrins”, Journal of Physical Chemistry A114, 10315–10319. (Link)

[39]

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 Chemistry45, 1868–1872. (Link)

[38]

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 31, 1297-1311. (Link)

[37]

Bohórquez, H. J.; Matta, C. F.; Boyd, R. J. (2010). “The localized electron detector as an ab initio representation of molecular structures”, International Journal of Quantum Chemistry110, 2418-2425. (Link)

[36]

Arabi, A. A.; Matta, C. F. (2009). “Where is electronic energy stored in an adenosine triphosphate?”, Journal of Physical Chemistry A 113, 3360-3368. [Cover Feature]. (Link)

[35]

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. (Link)

[34]

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 Computation3, 1054-1063. (Link)

[33]

Hernández-Trujillo, J.; Matta C. F. (2007). “Hydrogen-hydrogen bonding in biphenyl revisited”, Structural Chemistry 18, 849-857. (Link)

[32]

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. (Link)

[31]

Matta, C. F., Castillo, N., Boyd, R. J. (2006). “Atomic contributions to bond dissociation energies in aliphatic hydrocarbons”, Journal of Chemical Physics125, 204103-(1-13). (Link)

[30]

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 Society128, 8849-8861. (Link)

[29]

Bandrauk, A. D.; Sedik, E. S.; Matta, C. F. (2006). “Laser control of reaction paths in ion-molecule reactions”, Molecular Physics104, 95-102. (Link)

[28]

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. (Link)

[27]

Matta, C. F.; Bader, R. F. W. (2006). “An experimentalist’s reply to ‘What is an atom in a molecule?’ ”, Journal of Physical Chemistry A110, 6365-6371. (Link)

[26]

Dobrin, S.; Harikumar, K. R.; Matta, C. F.; Polanyi, J. C.([3]) (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. (Link)

[25]

Matta, C. F.; Castillo, N.; Boyd, R. J. (2005). “Characterization of a closed-shell fluorine-fluorine bonding interaction in aromatic compounds on the basis of the electron density”, Journal of Physical Chemistry A109, 3669-3681. (Link)

[24]

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 Modeling45, 354-359. (Link)

[23]

Castillo, N., Matta, C. F., Boyd, R. J. (2005). “The first example of a cage critical point in a single ring: A novel twisted α-helical ring topology”, Chemical Physics Letters409, 265-269. (Link)

[22]

Matta, C. F.; Polanyi, J. C.(a) (2004). “Effect of adatom-to-adatom separation on the reactivity of dihalobenzenes at Si(111)7´7 surfaces: chemistry on a peg-board”, Philosophical Transactions of the Royal Society of London362, 1185-1194 (10). (Link)

[21]

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 Physics121, 7764-7775. (Link)

[20]

Bader, R. F. W.; Matta, C. F.; Cortés-Guzmán, F. (2004). “Where to draw the line in defining a molecular structure”, Organometallics23, 6253-6263. (Link)

[19]

Bader, R. F. W; Matta, C. F. (2004). “Atomic charges are measurable quantum expectation values: A rebuttal of criticisms of QTAIM charges“, Journal of Physical Chemistry A 108, 8385-8394. (Link)

[18]

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. [Cover Feature] (Link)

[17]

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”,Journal of Physical Chemistry A 107, 7496-7504. (Link)

[16]

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. (Link)

[15]

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. [Cover, ranked “Exceptional” by the Faculty of 100 (F1000)]. (Link)

[14]

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].

[13]

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” Journal of Molecular Structure660, 81-97. (Link)

[12]

Matta, C. F.; Hernández-Trujillo, J.; and Bader, R. F. W. (2002). “Proton spin-spin coupling and electron delocalization”, Journal of Physical Chemistry A 106, 7369-7375. (Link)

[11]

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. (Link)

[10]

Matta, C. F. and Gillespie, R. J. (2002). “Understanding and interpreting molecular electron density distributions”, Journal of Chemical Education79, 1141-1152. (Link)

[9]

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. (Link) [Cover Feature, C&EN Cover Story, issue of 8 Oct. 2001, p. 44 (Link)].

[8]

Bader, R. F. W. and Matta, C. F. (2001). “Properties of atoms in crystals: dielectric polarization”, International Journal of Quantum Chemistry 85, 592-607. (Link)

[7]

Bader, R. F. W.; Matta, C. F. (2001). “Bonding to titanium”, Inorganic Chemistry 40, 5603-5611. (Link)

[6]

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. (Link)

[5]

Gillespie, R. J. and Matta, C. F. (2001). “Teaching the VSEPR model and electron densities”, Chemistry Education: Research and Practice In Europe 2, 73-90. (Link)

[4]

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. (Link)

[3]

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”, Journal of Molecular Structure 523, 241-255.

[2]

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. (Link)

[1]

Matta, C. F. (1991). “L'effet tunnel : quelques applications”, Bulletin de l'Union des physiciens (BUP)  85 (No. 734), 737-749. (in French). (Link)

 

 

 

COMPUTER PROGRAMS

[3]

Sumar, I.; Cook, R.; Ayers, P. W.; Matta, C. F. (2015). AIMLDM:Program to Generate and Manipulate Electron Localization-Delocalization Matrices (LDMs) (Written in Python). (http://www.cmatta.ca/software/).

[2]

Matta, C. F. (2001). QCPE 0801. FRAGDIP:Program to calculate functional group contributions to the molecular dipole moment (Code written in Pascal). (Distributed by the Quantum Chemistry Program Exchange (QCPE), University of Indiana: (http://qcpe.chem.indiana.edu/; http://www.cmatta.ca/software/).)

[1]

Matta, C. F. (2001). QCPE 0802.AIMDELOC:Program to calculate electron localization and delocalization indices (Written as a UNIX shell script). (Distributed by the Quantum Chemistry Program Exchange (QCPE), University of Indiana: (http://qcpe.chem.indiana.edu/; http://www.cmatta.ca/software/).)



([1])Nobel Laureate in Chemistry (2009).

([2])Nobel Laureate in Chemistry (1985).

([3]) Nobel Laureate in Chemistry (1986).