David Casanova

Universidad del País Vasco - Leioa / Spain

Natural Sciences / Chemical Sciences

AD Scientific Index ID: 4367958

University of the Basque Country UPV EHU

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David Casanova's MOST POPULAR ARTICLES

1-) Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageY Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...Molecular Physics 113 (2), 184-215, 201526312015

2-) Shape maps and polyhedral interconversion paths in transition metal chemistryS Alvarez, P Alemany, D Casanova, J Cirera, M Llunell, D AvnirCoordination chemistry reviews 249 (17-18), 1693-1708, 20058642005

3-) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageE Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...The Journal of chemical physics 155 (8), 20218712021

4-) SHAPE, version 2.1M Llunell, D Casanova, J Cirera, P Alemany, S AlvarezUniversitat de Barcelona, Barcelona, Spain 2103, 20138882013

5-) The rich stereochemistry of eight‐vertex polyhedra: a continuous shape measures studyD Casanova, M Llunell, P Alemany, S AlvarezChemistry–A European Journal 11 (5), 1479-1494, 20058592005

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