| 128. |
Jara-Cortés, J.; Matta, C. F.; Hernández-Trujillo, J. (2022). “A fast approximate extension of the Interacting Quantum Atoms energy decomposition to excited states”; Journal of Computational Chemistry, submitted, in review. |
| 127. |
Vigneau, J.-N.; Fahimi, P., Ebert, M.; Cheng, Y.; Tannahill, C.; Muir, P.; Nguyen-Dang, T.-T. Matta, C. F. (2022). “ATP synthase: A moonlighting enzyme with unprecedented functions”, Chemical Communications (ChemComm) 58, 2650-2653.
[Cover Feature].
[Reported upon as a NEWS item in: Apps, S. “Electric field of ATP synthase suggests enzyme has functions beyond catalysis” Chemistry World (28 Feb. 2022)] |
| 126. |
Lakmehsari, M. S.; Yeganegi, S.; Matta, C. F.; Ghandi, K.; Ziaie, F. (2022). “The diffusion of light gases through polyvinyl butyral: Molecular hydrogen, helium, and neon”; Journal of Molecular Liquids 345, Article # 118245 (pp. 1-7). |
| 125. |
Azzouz, L.; Halit, M.; Denawi, H.; Charifi, Z.; Baaziz, H.; Rérat, M.; Matta, C. F. (2022). “RbCeX2 Crystal (X = S, Se, Te): Pressure-induced spin-selective gapless transition and response properties”, Journal of Alloys and Compounds 898, Article # 162760, (pp. 1-12). |
| 124. |
Castanedo, L. A. M.; Matta, C. F.; Ylijoki, K. E. O. (2022). “The reaction path of cyclooctatetraene dimerization revisited”; International Journal of Quantum Chemistry 122, Article # e26866, (pp. 1-16). |
| 123. |
Fahimi, P.; Matta, C. F. (2022). “The hot mitochondrion paradox: Reconciling theory and experiment”; Trends in Chemistry 4, 96-110.[Selected for “two-months free access” by the Editor]. |
| 122. |
Matta, C. F.; Massa, L. (2022). “A two projector triple product in quantum crystallography”; International Journal of Quantum Chemistry 122, Article # e26838 (1-7).[Cover Feature]. |
| 121. |
Matta, C. F.; Huang, L.; Massa, L. (2021). “Quantum crystallography: N-representability big and small”; Israel Journal of Chemistry 61, 1-14 (in press).[Invited for a special issue: Rosarium Philsophorum]. |
| 120. |
Smith, F.; Majaess, D.; Harriott, T.; Massa, L.; Matta, C. F.; (2021) “Establishing New diffuse interstellar band correlations to identify common carriers”; Monthly Notices of the Royal Astronomical Society (MNRAS) 507, 5236–5245. |
| 119. |
Anderson, J. S. M.; Massa, L.; Matta, C. F. (2021). “Non-nuclear maxima and the universality of Bright Wilson’s justification of the first Hohenberg Kohn theorem revisited”; Chemical Physics Letters 780, Article#138940, (pp. 1-6). [“Editor’s Choice” and issue “cover feature”]. |
| 118. |
Fahimi, P.; Matta, C. F. (2021). “On the power per mitochondrion and the number of associated active ATP synthases”; Physical Biology 18, Article#04LT01, (pp. 1-6). |
| 117. |
Fahimi, P.; Toussi, C. A.; Trump, W.; Haddadnia, J.; Matta, C. F. (2021). “Striking patterns in natural magic squares’ associated electrostatic potentials: Matrices of the 4th and 5th order”, Discrete Mathematics 344, Article#112229, (pp. 1-11). |
| 116. |
Sadjadi, SA; Matta, C. F.; Hamilton, I. P. (2021). “Bonding and metastability for group 12 dications”, Journal of Computational Chemistry 42, 40-49. |
| 115. |
Toussi, C. A.; Haddadnia, J.; Matta, C. F. (2021). “Drug design by machine-trained elastic networks. Predicting Ser/Thr-protein kinase inhibitors’ activities”, Molecular Diversity 25, 899-909.SI-01: Molecular Set, SI-02: MATLAB program. |
| 114. |
Sowlati-Hashjin, S.; Karttunen, M.; Matta, C. F. (2020). “Manipulation of diatomic molecules with oriented external electric fields: Linear correlations in atomic properties lead to non-linear molecular responses”, Journal of Physical Chemistry A 124, 4720-4731. [Cover Feature]. |
| 113. |
Janbazi, M.; Azar, Y. T.; Ziaie, F.; Ghandi, K.; Matta, C. F.; Lakmehsari, M. S. (2020) “Structures, g-tensors, and hyperfine coupling constants of L-α-alanine radicals in radiation dosimetry: An ab initio molecular dynamics simulation”; International Journal of Quantum Chemistry 120, Article#e26211, (pp. 1-13). |
| 112. |
Fahimi, P.; Nasr, M. A.; Castanedo, L. A. M.; Cheng, Y.; Toussi, C. A.; Matta, C. F. (2020). “Invited paper (mini review): A note on the consequences of a hot mitochondrion: Some recent developments and open questions”; Biophysical Bulletin 43, 7-14. [Invited]. |
| 111. |
Matta, C. F.; Lombardi, O.; Arriaga, J. J. (2020). “Two-step emergence: The quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry”, Foundations of Chemistry 22, 107-129. |
| 110. |
Kandezi, M. K.; Lakmehsari, M. S.; Matta, C. F. (2020). “Electric field assisted desalination of water using B- and N-doped-graphene sheets: A non-equilibrium molecular dynamics study”, Journal of Molecular Liquids 302, Article#112574, (pp. 1-10). |
| 109. |
Azzouz, L.; Halit, M.; Charifi, Z.; Baaziz, H.; Rérat, M.; Denawi, H.; Matta, C. F. (2020). “Magnetic semiconductor properties of RbLnSe2 (Ln = Ce, Pr, Nd, Gd): A density functional study”, Journal of Magnetism and Magnetic Materials 501, Article#166448 (pp.1-8). |
| 108. |
Castanedo, L. A. M.; Lamar, A. S.; Boado, C. M.; de la Nuez Veulens, A.; Matta, C. F. (2019). “Genoprotection by Complexation: The Case of Phyllanthus orbicularis K extract”, Computational and Theoretical Chemistry 1164, Article#112555, (pp. 1-9). |
| 107. |
Keith, T.; Massa, L.; Cheng, Y.; Matta, C. F. (2019). “The kernel energy method applied to quantum theory of atoms in molecules – energies of interacting quantum atoms”, Chemical Physics Letters 734, Article#136650, (pp. 1-4). [Cover Feature]. |
| 106. |
Nasr, M. A.; Dovbeshko, G. I; Bearne, S. L.; El-Badri, N.; Matta, C. F. (2019). “Heat shock proteins and their putative roles in the hot mitochondrion”, BioEssays 41, Article#1900055, (pp. 1-6). |
| 105. |
Polkosnik, W.; Matta, C. F.; Huang, L.; Massa, L. (2019). “Fast quantum crystallography”, International Journal of Quantum Chemistry 119, Article # e25986 (pp.1-11). [Cover Feature, granted free “Open Access” by the Journal]. |
| 104. |
Azzouz, L.; Halit, M.; Charifi, Z.; Matta, C. F. (2019). “Tellurium doping and the structural, electronic and optical properties of NaYS2(1-x)Te2x alloys”, ACS Omega 4, 11320-11331. |
| 103. |
Arabi, A. A.; Matta, C. F. (2018). “Effects of intense electric fields on the double proton transfer in the Watson-Crick GC base pair”, Journal of Physical Chemistry B 122, 8631-8641. |
| 102. |
Matta, C. F.; Massa, L. (2018). “Quantum crystallography in medicinal chemistry”, Future Medicinal Chemistry 10, 1525-1527. [Guest Editorial]. |
| 101. |
Matta, C. F.; Hutter, M.C. (2018). “Ask the experts – computational chemistry”, Future Medicinal Chemistry 10, 1521-1524. [Q&A with B. Walden for: Special Focus Issue: Computational Medicinal Chemistry]. |
| 100. |
Matta, C. F.; Hutter, M.C.(2018). “Foreword – Computational medicinal chemistry special focus issue”, Future Medicinal Chemistry 10, 1517-1519. [Guest Editorial for Special Issue]. |
| 99. |
Gatti, C.; Macetti, G.; Boyd, R. J.; Matta, C. F. (2018). “An electron density source‐function study of DNA base pairs in their neutral and ionized ground states”, Journal of Computational Chemistry 39, 1112-1128. [Cover Feature]. |
| 98. |
Braden, D. A.; Matta, C. F. (2018). “On the unusual synclinal conformations of hexafluorobutadiene and structurally similar molecules” Journal of Physical Chemistry A 122, 4538-4548. |
| 97. |
Arabi, A. A.; Matta, C. F. (2018). “Adenine-Thymine Tautomerization Under the Influence of Strong Homogeneous Electric Fields”, Physical Chemistry Chemical Physics (PCCP) 20, 12406-12412. |
| 96. |
Genoni, A.; Bučinský, L.; Claiser, N.; Contreras-Garcia, J.; Dittrich, B.; Dominiak, P. M.; Espinosa, E.; Gatti, C.; Giannozzi, P.; Gillet, M.; Jayatilaka, D.; Macchi, P.; Madsen, A. Ø.; Massa, L. J.; Matta, C. F.; Merz Jr., K. M.; Nakashima, P.; Ott, H.; Ryde, U.; Scherer, W.; Schwarz, K.; Sierka, M.; Grabowsky, S. (2018) “Quantum crystallography: current developments and future perspectives”, Chemistry: A European Journal 24,10881-10905. [Invited]. |
| 95. |
Matta, C. F. (2018). “Quantum crystallography: From the intersection to the union of crystallography and quantum mechanics”, Journal of Computational Chemistry 39, 1019-1020. [Guest Editorial for Special Issue]. |
| 94. |
Massa, L.; Matta, C. F. (2018). “Quantum crystallography: a perspective”, Journal of Computational Chemistry 39, 1021-1028.[Invited]. |
| 93. |
Massa, L.; Matta, C. F. (2018). “Exploiting the full quantum crystallography”, Canadian Journal of Chemistry 96, 599-605. [Invited Review]. |
| 92. |
Matta, C. F. (2018). “Molecules as networks: A localization-delocalization matrices approach”, Computational and Theoretical Chemistry 1124, 1-14. [Invited]. |
| 91. |
Malinen, K.; Matta, C. F. (2018). ““Climate Change” and the “Butterfly Effect” in an Eighteenth Century Monograph”, Foundations of Chemistry 20, 265-268. |
| 90. |
Matta, C. F., Massa, L. (2017). “Notes on the energy equivalence of information”, Journal of Physical Chemistry A 121, 9131-9135. [Invited]. |
| 89. |
Matta, C. F. (2017). “De la topogaphie de la densité électronique à une théorie quantique des atomes dans les molécules” [in French] (From the topography of the electron density to a quantum theory of atoms in molecules), Le BUP – Physique-Chimie (Bulletin de l’union des physiciens) 111, 825-845. [“Article of the Month” (Link)]. |
| 88. |
Matta, C. F. (2017). “A path through quantum crystallography: A short tribute to Professor Lou Massa”, Structural Chemistry 28, 1279-1283. |
| 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 28, 1591-1597. |
| 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 115, 1955-1965. [Invited]. |
| 85. |
Matta, C. F. (2017). “El camino de enlace cuarenta años después de su descubrimiento: Una manifestación de los enlaces químicos 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. |
| 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. |
| 83. |
Matta, C. F. (2016). “Drawing a line under the chemical bond”, Chemistry World 13 (No. 10, October), 65. |
| 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 of the electrostatic potential in the ground- and first excited-electronic states” Theoretical Chemistry Accounts 135, Article#63, (pp. 1-16). |
| 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. |
| 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. |
| 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. |
| 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 Scripta 91, Article#013001 (pp. 1-13). |
| 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. |
| 75. |
Matta, C. F.; Massa, L. (2015). “The energy equivalence of information in the mitochondrion and the thermodynamic efficiency of ATP synthase” Biochemistry 54, 5376-5378. |
| 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. |
| 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. |
| 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. |
| 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. |
| 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. [Feature Article].
[Click here for Supporting Information]. |
| 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. |
| 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. [Click here for Supporting Information]. |
| 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 Letters 612, 190-197. [Click here for Supporting Information]. |
| 66. |
Matta, C. F. (2014). “Localization-delocalization matrices: a molecular fingerprinting tool of potential utility in computational medicinal chemistry”, Future Medicinal Chemistry 6, 1475-1479. |
| 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. |
| 64. |
Dittrich, B.; Matta, C. F. (2014). “Contributions of charge-density research to medicinal chemistry”; International Union of Crystallography Journal (IUCrJ) 1, 457-469. |
| 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). [Click here for Supporting Information] |
| 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. |
| 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. |
| 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. |
| 59. |
Groves, B. R.; Crawford, S. M.; Lundrigan, T.; S. Sowlati-Hashjin; Matta, C. F.; Thompson, A. (2013). “Improved synthesis and chemical manipulation of the simplest F-BODIPY framework”, Chemical Communications 49, 816-818. |
| 58. |
Matta, C. F. (2013). “Philosophical aspects and implications of the quantum theory of atoms in molecules (QTAIM)”, Foundations of Chemistry 15, 245-251. |
| 57. |
Bader, R. F. W.; Matta, C. F. (2013). “Atoms in molecules as non-overlapping, bounded, space-filling open quantum systems”, Foundations of Chemistry 15, 253-276. |
| 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 Chemistry 51, 3754-3769.[Click here for Supporting Information] |
| 55. |
Wallace, S.; Huang, L.; Matta, C. F.; Massa, L.; Bernal, (2012). I. “New structures of hydronium cation clusters”, Comptes Rendus Chimie 15, 700-707. |
| 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. |
| 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. |
| 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. |
| 50. |
Bohorquez, H.; Boyd, R. J.; Matta, C. F. (2011). Molecular model with quantum mechanical bonding information, Journal of Physical Chemistry A 115, 12991–12997. |
| 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. |
| 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 A 115, 12445–12450. |
| 47. |
Matta, C. F.; Arabi, A. A. (2011). “Electron density descriptors as predictors in quantitative structure-to-activity/property-relationships (QSAR/QSPR)”, Future Medicinal Chemistry 3, 969-994. |
| 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. |
| 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. |
| 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. |
| 43. |
Matta, C. F.; Massa, L. (2011). “Subsystem quantum mechanics and in-silico medicinal and biological chemistry”, Future Medicinal Chemistry 3, 1971–1974. |
| 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 Education 88, 67–70. |
| 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. |
| 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 A 114, 10315–10319. |
| 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 Chemistry 45, 1868–1872. |
| 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.[Click here for Supporting Information]. |
| 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 Chemistry 110, 2418-2425. |
| 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. |
| 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. |
| 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 Computation 3, 1054-1063. |
| 33. |
Hernández-Trujillo, J.; Matta C. F. (2007). “Hydrogen-hydrogen bonding in biphenyl revisited”, Structural Chemistry 18, 849-857. |
| 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. |
| 31. |
Matta, C. F., Castillo, N., Boyd, R. J. (2006). “Atomic contributions to bond dissociation energies in aliphatic hydrocarbons”, Journal of Chemical Physics 125, Article#204103 (pp. 1-13). |
| 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 Society 128, 8849-8861. |
| 29. |
Bandrauk, A. D.; Sedik, E. S.; Matta, C. F. (2006). “Laser control of reaction paths in ion-molecule reactions”, Molecular Physics 104, 95-102. |
| 28. |
Matta, C. F.; Castillo, N.; Boyd, R. J. (2006). “Extended weak bonding interactions in DNA: π-stacking (base-base), base-backbone, and backbone-backbone interactions”, Journal of Physical Chemistry B 110, 563-578. |
| 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 A 110, 6365-6371. |
| 26. |
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) 7×7”, Surface Science 580, 39-50. |
| 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 A 109, 3669-3681. |
| 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 Modeling 45, 354-359. |
| 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 Letters 409, 265-269. |
| 22. |
Matta, C. F.; Polanyi, J. C. (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 London 362, 1185-1194. |
| 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 Physics 121, 7764-7775. |
| 20. |
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. |
| 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. |
| 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. |
| 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. |
| 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. |
| 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. |
| 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. |
| 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 Structure 660, 81-97. |
| 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. |
| 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. |
| 10. |
Matta, C. F. and Gillespie, R. J. (2002). “Understanding and interpreting molecular electron density distributions”, Journal of Chemical Education 79, 1141-1152. |
| 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. |
| 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. |
| 7. |
Bader, R. F. W.; Matta, C. F. (2001). “Bonding to titanium”, Inorganic Chemistry 40, 5603-5611. |
| 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. |
| 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. |
| 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. |
| 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. |
| 1. |
Matta, C. F. (1991). “L’effet tunnel : quelques applications”, Bulletin de l’Union des physiciens (BUP) 85 (No. 734), 737-749. [In French]. |