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Alemany, Pere, Casanova, David, Álvarez, Santiago (2012) Continuous symmetry measures of irreducible representations: application to molecular orbitals. Physical Chemistry Chemical Physics, 14 (33). 11816pp. doi:10.1039/c2cp41506b

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Reference TypeJournal (article/letter/editorial)
TitleContinuous symmetry measures of irreducible representations: application to molecular orbitals
JournalPhysical Chemistry Chemical Physics
AuthorsAlemany, PereAuthor
Casanova, DavidAuthor
Álvarez, SantiagoAuthor
Year2012Volume14
Issue33
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c2cp41506bSearch in ResearchGate
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Mindat Ref. ID4017659Long-form Identifiermindat:1:5:4017659:8
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Full ReferenceAlemany, Pere, Casanova, David, Álvarez, Santiago (2012) Continuous symmetry measures of irreducible representations: application to molecular orbitals. Physical Chemistry Chemical Physics, 14 (33). 11816pp. doi:10.1039/c2cp41506b
Plain TextAlemany, Pere, Casanova, David, Álvarez, Santiago (2012) Continuous symmetry measures of irreducible representations: application to molecular orbitals. Physical Chemistry Chemical Physics, 14 (33). 11816pp. doi:10.1039/c2cp41506b
In(2012) Physical Chemistry Chemical Physics Vol. 14 (33) Royal Society of Chemistry (RSC)

See Also

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Casanova, David, Alemany, Pere (2010) Quantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function. Physical Chemistry Chemical Physics, 12 (47). 15523pp. doi:10.1039/c0cp01326a
Falceto, Andrés, Casanova, David, Alemany, Pere, Alvarez, Santiago (2013) Pseudo-symmetry Analysis of the d-block Molecular Orbitals in Four-Coordinate Complexes. Inorganic Chemistry, 52 (11) 6510-6519 doi:10.1021/ic4004774
Alvarez, Santiago, Alemany, Pere, Avnir, David (2005) Continuous chirality measures in transition metal chemistry. Chemical Society Reviews, 34. 313pp. doi:10.1039/b301406c
Ok, Kang Min, Halasyamani, P. Shiv, Casanova, David, Llunell, Miquel, Alemany, Pere, Alvarez, Santiago (2007) Reply to Comment on “Distortions in Octahedrally Coordinated d0Transition Metal Oxides:  A Continuous Symmetry Measures Approach”. Chemistry of Materials, 19. 1200 doi:10.1021/cm070084b
Ok, Kang Min, Halasyamani, P. Shiv, Casanova, David, Llunell, Miquel, Alemany, Pere, Alvarez, Santiago (2006) Distortions in Octahedrally Coordinated d0Transition Metal Oxides:  A Continuous Symmetry Measures Approach. Chemistry of Materials, 18. 3176-3183 doi:10.1021/cm0604817
Casanova, David, Alemany, Pere, Falceto, Andrés, Carreras, Abel, Alvarez, Santiago (2013) Pseudosymmetry analysis of molecular orbitals. Journal of Computational Chemistry, 34 (15). 1321-1331 doi:10.1002/jcc.23257
Pinsky, Mark, Casanova, David, Alemany, Pere, Alvarez, Santiago, Avnir, David, Dryzun, Chaim, Kizner, Ziv, Sterkin, Alexander (2008) Symmetry operation measures. Journal of Computational Chemistry, 29 (2). 190-197 doi:10.1002/jcc.20772
Casanova, David, Alemany, Pere (2011) Revisiting the foundations of symmetry operation measures for electronic wavefunctions. Chemical Physics Letters, 511. 486-490 doi:10.1016/j.cplett.2011.06.080
Casanova, David, Llunell, Miquel, Alemany, Pere, Alvarez, Santiago (2005) The Rich Stereochemistry of Eight-Vertex Polyhedra: A Continuous Shape Measures Study. Chemistry - A European Journal, 11 (5). 1479-1494 doi:10.1002/chem.200400799
Pinsky, Mark, Dryzun, Chaim, Casanova, David, Alemany, Pere, Avnir, David (2008) Analytical methods for calculating Continuous Symmetry Measures and the Chirality Measure. Journal of Computational Chemistry, 29 (16). 2712-2721 doi:10.1002/jcc.20990
Alvarez, Santiago, Menjón, Babil, Falceto, Andrés, Casanova, David, Alemany, Pere (2014) Stereochemistry of Complexes with Double and Triple Metal–Ligand Bonds: A Continuous Shape Measures Analysis. Inorganic Chemistry, 53 (22) 12151-12163 doi:10.1021/ic5021077
 
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