The Citing articles tool gives a list of articles citing the current article. The citing articles come from EDP Sciences database, as well as other publishers participating in CrossRef Cited-by Linking Program. You can set up your personal account to receive an email alert each time this article is cited by a new article (see the menu on the right-hand side of the abstract page).
Georges Trinquier, Grégoire David, Elohan Veillon and Jean-Paul Malrieu The Journal of Physical Chemistry A 128(21) 4252 (2024) https://doi.org/10.1021/acs.jpca.4c01328
An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
Josep Maria Bofill, Marco Severi, Wolfgang Quapp, Jordi Ribas-Ariño, Ibério de P. R. Moreira and Guillermo Albareda The Journal of Chemical Physics 159(11) (2023) https://doi.org/10.1063/5.0167749
Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n rings
Grégoire David, Nadia Ben Amor, Tao Zeng, Nicolas Suaud, Georges Trinquier and Jean-Paul Malrieu The Journal of Chemical Physics 156(22) (2022) https://doi.org/10.1063/5.0090129
Improved evaluation of spin-polarization energy contributions using broken-symmetry calculations
Grégoire David, Nicolas Ferré, Georges Trinquier and Jean-Paul Malrieu The Journal of Chemical Physics 153(5) (2020) https://doi.org/10.1063/5.0011734
An Overview of Self-Consistent Field Calculations Within Finite Basis Sets
Spin polarization as an electronic cooperative effect
Nadia Ben Amor, Camille Noûs, Georges Trinquier and Jean-Paul Malrieu The Journal of Chemical Physics 153(4) (2020) https://doi.org/10.1063/5.0011582
All-electron calculations of open-shell polyatomic molecules: II. Construction of quasi-localized molecular orbitals in vinyl and formaldiminoxyl radicals
Fabienne Maeder, Philippe Millie and Gaston Berthier International Journal of Quantum Chemistry 5(S4) 179 (2009) https://doi.org/10.1002/qua.560050719
Excitation Energies from Spin-Restricted Ensemble-Referenced Kohn−Sham Method: A State-Average Approach
Andranik Kazaryan, Jeroen Heuver and Michael Filatov The Journal of Physical Chemistry A 112(50) 12980 (2008) https://doi.org/10.1021/jp8033837
Restricted Ensemble-Referenced Kohn−Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P. R. Moreira, Ramon Costa, Michael Filatov and Francesc Illas Journal of Chemical Theory and Computation 3(3) 764 (2007) https://doi.org/10.1021/ct7000057
Spin Symmetry Requirements in Density Functional Theory: The Proper Way to Predict Magnetic Coupling Constants in Molecules and Solids
Francesc Illas, Ibério de P. R. Moreira, Josep Maria Bofill and Michael Filatov Theoretical Chemistry Accounts 116(4-5) 587 (2006) https://doi.org/10.1007/s00214-006-0104-6
Ab initioand density functional theory study of lead complexes of atmospheric interest Pb(H2), Pb(OH), Pb(H2O), Pb(HO2) and Pb(OH)2
Y. G. Smeyers, P. Fernandez-Serra and M. B. Ruiz Topics in Molecular Organization and Engineering, Strategies and Applications in Quantum Chemistry 14 175 (1996) https://doi.org/10.1007/0-306-46930-8_13
Strategies and Applications in Quantum Chemistry
J. P. Malrieu and J. P. Daudey Topics in Molecular Organization and Engineering, Strategies and Applications in Quantum Chemistry 14 103 (1996) https://doi.org/10.1007/0-306-46930-8_7
Strategies and Applications in Quantum Chemistry
O. Parisel and Y. Ellinger Topics in Molecular Organization and Engineering, Strategies and Applications in Quantum Chemistry 14 39 (1996) https://doi.org/10.1007/0-306-46930-8_3
Eccentric orbitals for sigma free radicals: vinyl and phenyl as test-cases
Ground‐state and some excited states of Li2 by the half‐projected Hartree–Fock method
P. Fernández‐serra, V. Botella, Y. G. Smeyers, A. Galano and G. Delgado‐Barrio International Journal of Quantum Chemistry 54(5) 305 (1995) https://doi.org/10.1002/qua.560540506
Photoactivated α‐ketocarbenes: Formation and isomerization reactions. RRKM calculations with semi‐empirical parameters (AM1, MNDOC)
Electronic and vibrational spectra of matrix isolated anthracene radical cations: Experimental and theoretical aspects
Jan Szczepanski, Martin Vala, Dahbia Talbi, Olivier Parisel and Yves Ellinger The Journal of Chemical Physics 98(6) 4494 (1993) https://doi.org/10.1063/1.465009
A Heisenberg Hamiltonian for intermolecular exchange interaction: Spin delocalization and spin polarization
Basic Principles and Techniques of Molecular Quantum Mechanics
Ralph E. Christoffersen Springer Advanced Texts in Chemistry, Basic Principles and Techniques of Molecular Quantum Mechanics 481 (1989) https://doi.org/10.1007/978-1-4684-6360-6_11
Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules
G. Berthier, M. Defranceschi and J. Delhalle Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules 209 (1989) https://doi.org/10.1007/978-94-009-2329-4_10
Dynamical and nondynamical correlation effects inabinitiochemisorption cluster model calculations. Ground and low lying states of H on Cu(100) and Ag(100)
M. Kertesz, J. Koller and A. Azman Lecture Notes in Physics, Recent Advances in the Quantum Theory of Polymers 113 56 (1980) https://doi.org/10.1007/3540097317_73
Different orbitals for different spins for solids: Fully variationalab initiostudies on hydrogen and carbon atomic chains, polyene, and poly(sulphur nitride)
Self-consistent field equation for configuration of nonorthoganol orbitals in the ?different orbitals for different spins? method, and the criterion of stability
ELECTRONIC PROPERTIES AND PHOTOCHEMICAL MONOMOLECULAR REACTIONS IN ORGANIC CONJUGATED COMPOUNDS: PHOTOCYCLIZATIONS, PHOTOISOMERIZATIONS AND PHOTOCHEMICAL REARRANGEMENTS—II
ELECTRONIC PROPERTIES AND PHOTOCHEMICAL MONOMOLECULAR REACTIONS IN ORGANIC CONJUGATED COMPOUNDS: PHOTOCYCLIZATIONS, PHOTOISOMERIZATIONS AND PHOTOCHEMICAL REARRANGEMENTS—I