Artikel mit Open-Access-Mandaten - Dr. Chérif F. MattaWeitere Informationen
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The kernel energy method: Application to graphene and extended aromatics
L Huang, HJ Bohorquez, CF Matta, L Massa
International Journal of Quantum Chemistry 111 (15), 4150-4157, 2011
Mandate: US National Institutes of Health
AIMLDM: a program to generate and analyze electron localization–delocalization matrices (LDMs)
I Sumar, R Cook, PW Ayers, CF Matta
Computational and Theoretical Chemistry 1070, 55-67, 2015
Mandate: Natural Sciences and Engineering Research Council of Canada
Molecules as networks: A localization-delocalization matrices approach
CF Matta
Computational and Theoretical Chemistry 1124, 1-14, 2018
Mandate: Natural Sciences and Engineering Research Council of Canada
Aromaticity of rings-in-molecules (RIMs) from electron localization–delocalization matrices (LDMs)
I Sumar, R Cook, PW Ayers, CF Matta
Physica Scripta 91 (1), 013001, 2015
Mandate: Natural Sciences and Engineering Research Council of Canada
The kernel energy method (KEM) delivers fast and accurate QTAIM electrostatic charge for atoms in large molecules
L Huang, C Matta, L Massa
Structural Chemistry 26, 1433-1442, 2015
Mandate: Natural Sciences and Engineering Research Council of Canada
On the connections between the quantum theory of atoms in molecules (QTAIM) and density functional theory (DFT): a letter from Richard FW Bader to Lou Massa
CF Matta
Structural Chemistry 28, 1591-1597, 2017
Mandate: Natural Sciences and Engineering Research Council of Canada
Energy equivalence of information in the mitochondrion and the thermodynamic efficiency of ATP synthase
CF Matta, L Massa
Biochemistry 54 (34), 5376-5378, 2015
Mandate: Natural Sciences and Engineering Research Council of Canada
Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states
LA Terrabuio, RLA Haiduke, CF Matta
Chemical Physics Letters 655, 96-102, 2016
Mandate: Natural Sciences and Engineering Research Council of Canada
Drug design by machine-trained elastic networks: predicting Ser/Thr-protein kinase inhibitors’ activities
CA Toussi, J Haddadnia, CF Matta
Molecular Diversity 25, 899-909, 2021
Mandate: Natural Sciences and Engineering Research Council of Canada
Non-nuclear maxima and the universality of Bright Wilson’s justification of the first Hohenberg Kohn theorem revisited
JSM Anderson, L Massa, CF Matta
Chemical Physics Letters 780, 138940, 2021
Mandate: US Department of Defense, Natural Sciences and Engineering Research Council …
On the Nature of Hydrogen–Hydrogen Bonding
JC García-Ramos, F Cortés-Guzmán, CF Matta
Mandate: Natural Sciences and Engineering Research Council of Canada
Electrostatic potentials and average electron densities of bioisosteres in methylsquarate and acetic acid
AA Arabi, CF Matta
Future Medicinal Chemistry 8 (4), 361-371, 2016
Mandate: Natural Sciences and Engineering Research Council of Canada
Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states
LA Terrabuio, RLA Haiduke, CF Matta
Theoretical Chemistry Accounts 135, 1-18, 2016
Mandate: Natural Sciences and Engineering Research Council of Canada
Quantum transition state for peptide bond formation in the ribosome
L Massa, CF Matta, A Yonath, J Karle
Quantum biochemistry, 499-515, 2010
Mandate: US National Institutes of Health
On the power per mitochondrion and the number of associated active ATP synthases
P Fahimi, CF Matta
Physical Biology 18 (4), 04LT01, 2021
Mandate: Natural Sciences and Engineering Research Council of Canada
Electrostatic Fields in biophysical chemistry
S Sowlati-Hashjin, M Karttunen, CF Matta
Mandate: Natural Sciences and Engineering Research Council of Canada
Striking patterns in natural magic squares’ associated electrostatic potentials: Matrices of the 4th and 5th order
P Fahimi, CA Toussi, W Trump, J Haddadnia, CF Matta
Discrete Mathematics 344 (3), 112229, 2021
Mandate: Natural Sciences and Engineering Research Council of Canada
Localization-delocalization matrices and electron density-weighted adjacency/connectivity matrices: A bridge between the quantum theory of atoms in molecules and chemical graph …
CF Matta, I Sumar, R Cook, PW Ayers
Applications of topological methods in molecular chemistry, 53-88, 2016
Mandate: Natural Sciences and Engineering Research Council of Canada
Two projector triple products in quantum crystallography
CF Matta, L Massa
International Journal of Quantum Chemistry 122 (4), e26838, 2022
Mandate: US Department of Defense, Natural Sciences and Engineering Research Council …
Coarse Graining and the Quantum Theory of Atoms in Molecules
O Lombardi, CF Matta
Philosophical Perspectives in Quantum Chemistry, 217-241, 2022
Mandate: Natural Sciences and Engineering Research Council of Canada, Government of …
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