| Year |
Citation |
Score |
| 2022 |
Jara-Cortés J, Matta CF, Hernández-Trujillo J. A fast approximate extension of the interacting quantum atoms energy decomposition to excited states. Journal of Computational Chemistry. 43: 1068-1078. PMID 35470908 DOI: 10.1002/jcc.26863 |
0.395 |
|
| 2020 |
Sowlati-Hashjin S, Karttunen M, Matta CF. Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Non-Linear Molecular Responses. The Journal of Physical Chemistry. A. PMID 32337997 DOI: 10.1021/acs.jpca.0c02569 |
0.477 |
|
| 2020 |
Matta CF, Lombardi O, Jaimes Arriaga J. 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. DOI: 10.1007/s10698-020-09352-w |
0.35 |
|
| 2019 |
Massa L, Keith T, Cheng Y, Matta CF. The kernel energy method applied to quantum theory of atoms in molecules – energies of interacting quantum atoms Chemical Physics Letters. 734: 136650. DOI: 10.1016/J.CPLETT.2019.136650 |
0.38 |
|
| 2018 |
Braden DA, Matta CF. On the Unusual Synclinal Conformations of Hexafluorobutadiene and Structurally Similar Molecules. The Journal of Physical Chemistry. A. 122: 4538-4548. PMID 29694045 DOI: 10.1021/acs.jpca.8b02157 |
0.463 |
|
| 2018 |
Gatti C, Macetti G, Boyd RJ, Matta CF. An electron density source-function study of DNA base pairs in their neutral and ionized ground states. Journal of Computational Chemistry. PMID 29681131 DOI: 10.1002/Jcc.25222 |
0.731 |
|
| 2017 |
Matta CF. 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. DOI: 10.1007/s11224-017-0946-7 |
0.331 |
|
| 2016 |
Arabi AA, Matta CF. Electrostatic potentials and average electron densities of bioisosteres in methylsquarate and acetic acid. Future Medicinal Chemistry. 8: 361-71. PMID 26976657 DOI: 10.4155/fmc.16.2 |
0.439 |
|
| 2016 |
Terrabuio LA, Teodoro TQ, Matta CF, Haiduke RL. Nonnuclear Attractors in Heteronuclear Diatomic Systems. The Journal of Physical Chemistry. A. 120: 1168-74. PMID 26842391 DOI: 10.1021/acs.jpca.5b10888 |
0.412 |
|
| 2016 |
Matta CF, Sadjadi S, Braden DA, Frenking G. The barrier to the methyl rotation in Cis-2-butene and its isomerization energy to Trans-2-butene, revisited. Journal of Computational Chemistry. 37: 143-54. PMID 26581645 DOI: 10.1002/Jcc.24223 |
0.399 |
|
| 2016 |
Terrabuio LA, Haiduke RLA, Matta CF. Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states Chemical Physics Letters. 655: 96-102. DOI: 10.1016/j.cplett.2016.05.032 |
0.328 |
|
| 2016 |
Rodríguez JI, Matta CF, Uribe EA, Götz AW, Castillo-Alvarado FL, Molina-Brito B. A QTAIM topological analysis of the P3HT-PCBM dimer Chemical Physics Letters. 644: 55-66. DOI: 10.1016/j.cplett.2015.11.052 |
0.4 |
|
| 2015 |
Lecomte C, Espinosa E, Matta CF. On atom-atom 'short contact' bonding interactions in crystals. Iucrj. 2: 161-3. PMID 25866651 DOI: 10.1107/S2052252515002067 |
0.42 |
|
| 2015 |
Sumar I, Cook R, Ayers PW, Matta CF. Aromaticity of rings-in-molecules (RIMs) from electron localization-delocalization matrices (LDMs) Physica Scripta. 91. DOI: 10.1088/0031-8949/91/1/013001 |
0.418 |
|
| 2015 |
Sumar I, Cook R, Ayers PW, Matta CF. AIMLDM: A program to generate and analyze electron localization-delocalization matrices (LDMs) Computational and Theoretical Chemistry. 1070: 55-67. DOI: 10.1016/J.Comptc.2015.07.014 |
0.426 |
|
| 2015 |
Huang L, Matta C, Massa L. The kernel energy method (KEM) delivers fast and accurate QTAIM electrostatic charge for atoms in large molecules Structural Chemistry. DOI: 10.1007/S11224-015-0661-1 |
0.533 |
|
| 2014 |
Timm MJ, Matta CF, Massa L, Huang L. The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments. The Journal of Physical Chemistry. A. 118: 11304-16. PMID 25343715 DOI: 10.1021/jp508490p |
0.455 |
|
| 2014 |
Timm MJ, Matta CF. Primary retention following nuclear recoil in β-decay: Proposed synthesis of a metastable rare gas oxide ((38)ArO4) from ((38)ClO4(-)) and the evolution of chemical bonding over the nuclear transmutation reaction path. Applied Radiation and Isotopes : Including Data, Instrumentation and Methods For Use in Agriculture, Industry and Medicine. 94: 206-215. PMID 25222874 DOI: 10.1016/j.apradiso.2014.07.011 |
0.361 |
|
| 2014 |
Matta CF. Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential. Journal of Computational Chemistry. 35: 1165-98. PMID 24777743 DOI: 10.1002/jcc.23608 |
0.434 |
|
| 2014 |
Massa L, Huang L, Matta C. Drug target interaction by KEM of Quantum Crystallography Acta Crystallographica Section a Foundations and Advances. 70: C967-C967. DOI: 10.1107/S2053273314090329 |
0.379 |
|
| 2013 |
Sowlati-Hashjin S, Matta C. The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules. The Journal of Chemical Physics. 139: 144101. PMID 24116597 DOI: 10.1063/1.4820487 |
0.325 |
|
| 2013 |
Matta CF, Sowlati-Hashjin S, Bandrauk AD. 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. The Journal of Physical Chemistry. A. 117: 7468-83. PMID 23627291 DOI: 10.1021/Jp401555H |
0.494 |
|
| 2013 |
Sadjadi S, Matta CF, Hamilton IP. Chemical bonding in groups 10, 11, and 12 transition metal homodimers-An electron density study Canadian Journal of Chemistry. 91: 583-590. DOI: 10.1139/cjc-2012-0549 |
0.409 |
|
| 2013 |
Matta CF, Sowlati-Hashjin S, Bandrauk AD. 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. DOI: 10.1021/jp401555h |
0.428 |
|
| 2013 |
Matta CF. Special issue: Philosophical aspects and implications of the quantum theory of atoms in molecules (QTAIM) Foundations of Chemistry. 15: 245-251. DOI: 10.1007/s10698-013-9194-0 |
0.374 |
|
| 2013 |
Bader RFW, Matta CF. Atoms in molecules as non-overlapping, bounded, space-filling open quantum systems Foundations of Chemistry. 15: 253-276. DOI: 10.1007/S10698-012-9153-1 |
0.393 |
|
| 2011 |
Bohórquez HJ, Boyd RJ, Matta CF. Molecular model with quantum mechanical bonding information. The Journal of Physical Chemistry. A. 115: 12991-7. PMID 21894893 DOI: 10.1021/Jp204100Z |
0.746 |
|
| 2011 |
Huang L, Matta CF, Massa L. Ion induced dipole clusters H(n)- (3 ≤ n-odd ≤ 13): density functional theory calculations of structure and energy. The Journal of Physical Chemistry. A. 115: 12445-50. PMID 21786781 DOI: 10.1021/jp203913n |
0.305 |
|
| 2011 |
Matta CF, Huang L, Massa L. Characterization of a trihydrogen bond on the basis of the topology of the electron density. The Journal of Physical Chemistry. A. 115: 12451-8. PMID 21714560 DOI: 10.1021/jp203973d |
0.315 |
|
| 2011 |
Matta CF, Arabi AA. Electron-density descriptors as predictors in quantitative structure--activity/property relationships and drug design. Future Medicinal Chemistry. 3: 969-94. PMID 21707400 DOI: 10.4155/fmc.11.65 |
0.484 |
|
| 2011 |
Matta CF, Sichinga M, Ayers PW. Information theoretic properties from the quantum theory of atoms in molecules Chemical Physics Letters. 514: 379-383. DOI: 10.1016/J.Cplett.2011.08.072 |
0.42 |
|
| 2011 |
Cukrowski I, Matta CF. Protonation sequence of linear aliphatic polyamines from intramolecular atomic energies and charges Computational and Theoretical Chemistry. 966: 213-219. DOI: 10.1016/j.comptc.2011.03.003 |
0.334 |
|
| 2011 |
Huang L, Bohorquez HJ, Matta CF, Massa L. The Kernel energy method: Application to graphene and extended aromatics International Journal of Quantum Chemistry. 111: 4150-4157. DOI: 10.1002/Qua.22975 |
0.731 |
|
| 2010 |
Walker VE, Castillo N, Matta CF, Boyd RJ. The effect of multiplicity on the size of iron(II) and the structure of iron(II) porphyrins. The Journal of Physical Chemistry. A. 114: 10315-9. PMID 20722364 DOI: 10.1021/Jp105842K |
0.634 |
|
| 2010 |
Matta CF, Arabi AA, Weaver DF. 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: 1868-72. PMID 20133027 DOI: 10.1016/J.Ejmech.2010.01.025 |
0.336 |
|
| 2010 |
Matta CF. 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: 1297-311. PMID 19882732 DOI: 10.1002/jcc.21417 |
0.427 |
|
| 2010 |
Cukrowski I, Matta CF. Hydrogen-hydrogen bonding: A stabilizing interaction in strained chelating rings of metal complexes in aqueous phase Chemical Physics Letters. 499: 66-69. DOI: 10.1016/j.cplett.2010.09.013 |
0.327 |
|
| 2010 |
Bohórquez HJ, Matta CF, Boyd RJ. The localized electrons detector as an ab initio representation of molecular structures International Journal of Quantum Chemistry. 110: 2418-2425. DOI: 10.1002/Qua.22662 |
0.728 |
|
| 2010 |
Bohórquez HJ, Cárdenas C, Matta CF, Boyd RJ, Patarroyo ME. Methods in Biocomputational Chemistry: A Lesson from the Amino Acids Quantum Biochemistry. 403-421. DOI: 10.1002/9783527629213.ch13 |
0.521 |
|
| 2009 |
Arabi AA, Matta CF. Where is electronic energy stored in adenosine triphosphate? The Journal of Physical Chemistry. A. 113: 3360-8. PMID 19281210 DOI: 10.1021/jp811085c |
0.341 |
|
| 2007 |
Taylor A, Matta CF, Boyd RJ. The Hydrated Electron as a Pseudo-Atom in Cavity-Bound Water Clusters. Journal of Chemical Theory and Computation. 3: 1054-63. PMID 26627424 DOI: 10.1021/ct600334w |
0.694 |
|
| 2007 |
Matta CF, Arabi AA, Keith TA. Atomic partitioning of the dissociation energy of the P-O(H) bond in hydrogen phosphate anion (HPO4(2-)): disentangling the effect of Mg2+. The Journal of Physical Chemistry. A. 111: 8864-72. PMID 17713891 DOI: 10.1021/jp0735280 |
0.44 |
|
| 2007 |
Wolstenholme DJ, Matta CF, Cameron TS. Experimental and theoretical electron density study of a highly twisted polycyclic aromatic hydrocarbon: 4-methyl-[4]helicene. The Journal of Physical Chemistry. A. 111: 8803-13. PMID 17705352 DOI: 10.1021/jp071002+ |
0.4 |
|
| 2007 |
Taylor A, Matta CF, Boyd RJ. The hydrated electron as a pseudo-atom in cavity-bound water clusters Journal of Chemical Theory and Computation. 3: 1054-1063. DOI: 10.1021/ct600334w |
0.624 |
|
| 2007 |
Matta CF, Boyd RJ. An Introduction to the Quantum Theory of Atoms in Molecules The Quantum Theory of Atoms in Molecules: From Solid State to Dna and Drug Design. 1-34. DOI: 10.1002/9783527610709.ch1 |
0.673 |
|
| 2007 |
Matta CF, Boyd RJ. Preface The Quantum Theory of Atoms in Molecules: From Solid State to Dna and Drug Design. xix-xxv. DOI: 10.1002/9783527610709 |
0.502 |
|
| 2006 |
Matta CF, Castillo N, Boyd RJ. Atomic contributions to bond dissociation energies in aliphatic hydrocarbons. The Journal of Chemical Physics. 125: 204103. PMID 17144686 DOI: 10.1063/1.2378720 |
0.696 |
|
| 2006 |
Zhurova EA, Matta CF, Wu N, Zhurov VV, Pinkerton AA. Experimental and theoretical electron density study of estrone. Journal of the American Chemical Society. 128: 8849-61. PMID 16819879 DOI: 10.1021/ja061080v |
0.453 |
|
| 2006 |
Matta CF, Bader RF. An experimentalist's reply to "What is an atom in a molecule?". The Journal of Physical Chemistry. A. 110: 6365-71. PMID 16686473 DOI: 10.1021/Jp060761+ |
0.737 |
|
| 2006 |
Matta CF, Castillo N, Boyd RJ. Extended weak bonding interactions in DNA: pi-stacking (base-base), base-backbone, and backbone-backbone interactions. The Journal of Physical Chemistry. B. 110: 563-78. PMID 16471569 DOI: 10.1021/Jp054986G |
0.708 |
|
| 2006 |
Bandrauk AD, Sedik EWS, Matta CF. Laser control of reaction paths in ion-molecule reactions Molecular Physics. 104: 95-102. DOI: 10.1080/00268970500273983 |
0.385 |
|
| 2006 |
Matta CF, Bader RFW. An experimentalist's reply to "what is an atom in a molecule?" Journal of Physical Chemistry A. 110: 6365-6371. DOI: 10.1021/jp060761 |
0.346 |
|
| 2006 |
Matta CF. Hydrogen-hydrogen bonding: The non-electrostatic limit of closed-shell interaction between two hydro Hydrogen Bonding - New Insights. 337-375. DOI: 10.1007/978-1-4020-4853-1_9 |
0.381 |
|
| 2005 |
Matta CF, Castillo N, Boyd RJ. Characterization of a closed-shell fluorine-fluorine bonding interaction in aromatic compounds on the basis of the electron density. The Journal of Physical Chemistry. A. 109: 3669-81. PMID 16839033 DOI: 10.1021/Jp045044Z |
0.686 |
|
| 2005 |
Castillo N, Matta CF, Boyd RJ. Fluorine-fluorine spin-spin coupling constants in aromatic compounds: correlations with the delocalization index and with the internuclear separation. Journal of Chemical Information and Modeling. 45: 354-9. PMID 15807499 DOI: 10.1021/Ci0497051 |
0.571 |
|
| 2005 |
Dobrin S, Rajamma Harikumar K, Matta CF, Polanyi JC. An STM study of the localized atomic reaction of 1,2- and 1,4-dibromoxylene with Si(1 1 1)-7 × 7 Surface Science. 580: 39-50. DOI: 10.1016/j.susc.2005.01.053 |
0.517 |
|
| 2005 |
Castillo N, Matta CF, Boyd RJ. 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. DOI: 10.1016/J.Cplett.2005.04.088 |
0.613 |
|
| 2004 |
Bandrauk AD, Sedik el-WS, Matta CF. Effect of absolute laser phase on reaction paths in laser-induced chemical reactions. The Journal of Chemical Physics. 121: 7764-75. PMID 15485238 DOI: 10.1063/1.1793931 |
0.409 |
|
| 2004 |
Matta CF, Polanyi JC. Chemistry on a peg-board: the effect of adatom-adatom separation on the reactivity of dihalobenzenes at Si(111)7 x 7 surfaces. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 362: 1185-94. PMID 15306470 DOI: 10.1098/Rsta.2004.1371 |
0.515 |
|
| 2003 |
Wang YG, Matta CF, Werstiuk NH. Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: effect of Coulomb correlation. Journal of Computational Chemistry. 24: 1720-9. PMID 12964190 DOI: 10.1002/jcc.10435 |
0.314 |
|
| 2003 |
Matta CF, Bader RF. 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. 52: 360-99. PMID 12866050 DOI: 10.1002/Prot.10414 |
0.731 |
|
| 2003 |
Matta CF, Hernández-Trujillo J, Tang TH, Bader RF. Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 1940-51. PMID 12740840 DOI: 10.1002/Chem.200204626 |
0.763 |
|
| 2003 |
Matta CF. Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: focus on correlation with experiment. Journal of Computational Chemistry. 24: 453-63. PMID 12594788 DOI: 10.1002/jcc.10208 |
0.364 |
|
| 2003 |
Matta CF, Hernández-Trujillo J. Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization Journal of Physical Chemistry A. 107: 7496-7504. DOI: 10.1021/jp034952d |
0.326 |
|
| 2003 |
Matta CF, Hernández-Trujillo J, Tang TH, Bader RFW. Hydrogen - Hydrogen bonding: A stabilizing interaction in molecules and crystals Chemistry - a European Journal. 9: 1940-1951. DOI: 10.1002/chem.200204626 |
0.317 |
|
| 2002 |
Matta CF, Bader RF. Atoms-in-molecules study of the genetically encoded amino acids. II. Computational study of molecular geometries. Proteins. 48: 519-38. PMID 12112676 DOI: 10.1002/Prot.10170 |
0.77 |
|
| 2002 |
Matta CF, Hernández-Trujillo J, Bader RFW. Proton spin-spin coupling and electron delocalization Journal of Physical Chemistry A. 106: 7369-7375. DOI: 10.1021/Jp020514F |
0.318 |
|
| 2002 |
Matta CF, Gillespie RJ. Understanding and interpreting molecular electron density distributions Journal of Chemical Education. 79: 1141. DOI: 10.1021/Ed079P1141 |
0.455 |
|
| 2001 |
Bader RFW, Matta CF. Bonding to titanium Inorganic Chemistry. 40: 5603-5611. PMID 11599960 DOI: 10.1021/ic010165o |
0.48 |
|
| 2001 |
GILLESPIE RJ, MATTA CF. TEACHING THE VSEPR MODEL AND ELECTRON DENSITIES Chem. Educ. Res. Pract.. 2: 73-90. DOI: 10.1039/B1Rp90010B |
0.419 |
|
| 2000 |
Matta CF, Bader RFW. 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. PMID 10842344 DOI: 10.1002/(Sici)1097-0134(20000801)40:2<310::Aid-Prot110>3.0.Co;2-A |
0.491 |
|
| 1998 |
Sun S, Britten JF, Cow CN, Matta CF, Harrison PHM. The crystal structure of 3,4,7,8-tetramethylglycoluril Canadian Journal of Chemistry. 76: 301-306. DOI: 10.1139/cjc-76-3-301 |
0.357 |
|
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