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RESEARCH PAPER · Journal of Computational Chemistry · 2010

Symmetry measures of the electron density

David Casanova, Pere Alemany, Santiago Álvarez

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23 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Symmetry measures of the electron densityOriginalQuantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function20Concurrent Symmetries: The Interplay Between Local and Global Molecular Symmetries14Chirality Measures for Vectors, Matrices, Operators and Functions30Six-Membered Ring Systems12A Continuous Symmetry Analysis of Chemical Bonding10Quantifying Asymmetry in Concerted Reactions: Solvents Effect on a Diels–Alder Cycloaddition16Revisiting the foundations of symmetry operation measures for electronic wavefunctions6Electronic Structure and Symmetry in Conjugated π‐Electron Systems6Continuous symmetry measures of irreducible representations: application to molecular orbitals12Continuous symmetry analyses: Cnv and Dn measures of molecules, complexes, and proteins16Analyzing the electronic structure of molecules using continuous symmetry measures3Pseudosymmetry analysis of molecular orbitals8Pseudo-symmetry Analysis of the d-block Molecular Orbitals in Four-Coordinate Complexes8An Anionic Aluminabenzene Bearing Aromatic and Ambiphilic Contributions57Continuous Symmetry Measures: A New Tool in Quantum Chemistry60Effects of Temperature on the Shape and Symmetry of Molecules and Solids7The determination of point groups from imprecise molecular geometries4Synthesis of New Derivatives of Leaf-Eating Ant Toxic Gland Pheromone Compounds and Investigation of their Biological Properties0Yttrium Complexes with Group 13 Heterobenzene‐Type Ligands2Might molecular symmetry operations exist “partially”?4Time‐Dependent Extension of Grimme's Continuous Chirality Measure for Electronic Chirality Flips in Femto‐ and Attosecond Time Domains1Evaluation of Point Group Symmetry in Lanthanide(III) Complexes: A New Implementation of a Continuous Symmetry Operation Measure with Autonomous Assignment of the Principal Axis20Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software4

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23 direct citing papers saved.

  1. Quantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function

    Physical Chemistry Chemical Physics · 2010-01-01

    David Casanova, Pere Alemany

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  2. Concurrent Symmetries: The Interplay Between Local and Global Molecular Symmetries

    Chemistry - A European Journal · 2010-12-07

    Jorge Echeverría, Abel Carreras, David Casanova, Pere Alemany, Santiago Álvarez

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  3. Chirality Measures for Vectors, Matrices, Operators and Functions

    ChemPhysChem · 2010-12-29

    Chaim Dryzun, David Avnir

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  4. Six-Membered Ring Systems

    Progress in heterocyclic chemistry · 2011-01-01

    Michael M. Miller, Albert J. DelMonte

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  5. A Continuous Symmetry Analysis of Chemical Bonding

    Chemistry - A European Journal · 2011-04-18

    Chaim Dryzun, Pere Alemany, David Casanova, David Avnir

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  6. Quantifying Asymmetry in Concerted Reactions: Solvents Effect on a Diels–Alder Cycloaddition

    The Journal of Organic Chemistry · 2011-05-16

    Inbal Tuvi‐Arad, David Avnir

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  7. Revisiting the foundations of symmetry operation measures for electronic wavefunctions

    Chemical Physics Letters · 2011-07-22

    David Casanova, Pere Alemany

    Read original paper ↗ ·

  8. Electronic Structure and Symmetry in Conjugated π‐Electron Systems

    Chemistry - A European Journal · 2011-12-08

    Pere Alemany, David Casanova, Chaim Dryzun

    Read original paper ↗ ·

  9. Continuous symmetry measures of irreducible representations: application to molecular orbitals

    Physical Chemistry Chemical Physics · 2012-01-01

    Pere Alemany, David Casanova, Santiago Álvarez

    Read original paper ↗ ·

  10. Continuous symmetry analyses: Cnv and Dn measures of molecules, complexes, and proteins

    Journal of Computational Chemistry · 2012-08-29

    Mark B. Pinsky, Amir Zait, Maayan Bonjack, David Avnir

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  11. Analyzing the electronic structure of molecules using continuous symmetry measures

    International Journal of Quantum Chemistry · 2012-12-06

    Pere Alemany

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  12. Pseudosymmetry analysis of molecular orbitals

    Journal of Computational Chemistry · 2013-02-22

    David Casanova, Pere Alemany, Andrés Falceto, Abel Carreras, Santiago Álvarez

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  13. Pseudo-symmetry Analysis of the d-block Molecular Orbitals in Four-Coordinate Complexes

    Inorganic Chemistry · 2013-05-13

    Andrés Falceto, David Casanova, Pere Alemany, Santiago Álvarez

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  14. An Anionic Aluminabenzene Bearing Aromatic and Ambiphilic Contributions

    Journal of the American Chemical Society · 2014-06-16

    Taichi Nakamura, Katsunori Suzuki, Makoto Yamashita

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  15. Continuous Symmetry Measures: A New Tool in Quantum Chemistry

    Reviews in computational chemistry · 2017-04-03

    Pere Alemany, David Casanova, Santiago Álvarez, Chaim Dryzun, David Avnir

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  16. Effects of Temperature on the Shape and Symmetry of Molecules and Solids

    Chemistry - A European Journal · 2018-07-19

    Abel Carreras, Efrem Bernuz, Xavier Marugan, Miquel Llunell, Pere Alemany

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  17. The determination of point groups from imprecise molecular geometries

    Journal of Mathematical Chemistry · 2021-11-15

    Peter J. Knowles

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  18. Synthesis of New Derivatives of Leaf-Eating Ant Toxic Gland Pheromone Compounds and Investigation of their Biological Properties

    Nangarhar University international journal of biosciences. · 2023-01-01

    Mahdi Mohammadi, Saadullah Khadimzada, Hassanali Moradi, Ghulam Reza Raesi

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  19. Yttrium Complexes with Group 13 Heterobenzene‐Type Ligands

    Chemistry - A European Journal · 2023-09-25

    Jakob Lebon, Damir Barisic, Cäcilia Maichle‐Mößmer, Reiner Anwander

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  20. Might molecular symmetry operations exist “partially”?

    Journal of Mathematical Chemistry · 2023-11-29

    Giorgio Celebre

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  21. Time‐Dependent Extension of Grimme's Continuous Chirality Measure for Electronic Chirality Flips in Femto‐ and Attosecond Time Domains

    ChemPhysChem · 2024-06-06

    Yanrong Guo, Dietrich Haase, Jörn Manz, Huihui Wang, Huihui Wang, Yonggang Yang, Yonggang Yang

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  22. Evaluation of Point Group Symmetry in Lanthanide(III) Complexes: A New Implementation of a Continuous Symmetry Operation Measure with Autonomous Assignment of the Principal Axis

    The Journal of Physical Chemistry A · 2024-06-27

    Villads R. M. Nielsen, Boris Le Guennic, Thomas Just Sørensen

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  23. Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software

    Nature Communications · 2025-11-21

    Villads R. M. Nielsen, Thomas Just Sørensen

    Read original paper ↗ ·
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