%0 Journal Article %1 pascale2023jahnteller %A Pascale, F. %A Gueddida, S. %A Doll, Klaus %A Dovesi, R. %D 2023 %I Wiley-VCH %J Journal of computational chemistry %K %N 10 %P 683-694 %R 10.1002/jcc.27274 %T Band gap, Jahn-Teller deformation, octahedra rotationin transition metal perovskites LaTiO3 %V 45

@article{pascale2023jahnteller, added-at = {2024-04-02T12:37:09.000+0200}, affiliation = {Pascale, F (Corresponding Author), Univ Lorraine Nancy, CNRS, LEMTA, F-54000 Nancy, France. Pascale, F., Univ Lorraine Nancy, CNRS, LEMTA, Nancy, France. Gueddida, S., Univ Lorraine Nancy, CNRS, LPCT, UMR, Vandoeuvre Les Nancy, France. Doll, K., Univ Stuttgart, Inst Theoret Chem, Molpro Quantum Chem Software, Stuttgart, Germany. Dovesi, R., Acad Sci Torino, Torinoto, Italy. Pascale, F., Univ Lorraine Nancy, CNRS, LEMTA, F-54000 Nancy, France.}, author = {Pascale, F. and Gueddida, S. and Doll, Klaus and Dovesi, R.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/27a9fe03e4714bcea40a65dd4fb592a4b/unibiblio}, doi = {10.1002/jcc.27274}, interhash = {5a3b316e9df0ddba9eda090788d5da11}, intrahash = {7a9fe03e4714bcea40a65dd4fb592a4b}, issn = {{0192-8651} and {1096-987X}}, journal = {Journal of computational chemistry}, keywords = {}, language = {eng}, number = 10, orcid-numbers = {PASCALE, Fabien/0000-0001-6316-684X}, pages = {683-694}, publisher = {Wiley-VCH}, research-areas = {Chemistry}, timestamp = {2024-04-02T10:37:09.000+0200}, title = {Band gap, Jahn-Teller deformation, octahedra rotationin transition metal perovskites LaTiO3}, unique-id = {WOS:001126325400001}, volume = 45, year = 2023 }