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Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations.
Choluj, Marta; Alam, Md Mehboob; Beerepoot, Maarten T P; Sitkiewicz, Sebastian P; Matito, Eduard; Ruud, Kenneth; Zalesny, Robert.
  • Choluj M; Faculty of Chemistry, Wroclaw University of Science and Technology, Wyb. Wyspianskiego 27, PL-50370 Wroclaw, Poland.
  • Alam MM; Department of Chemistry, Indian Institute of Technology Bhilai, Sejbahar, Raipur, Chhattisgarh 492015, India.
  • Beerepoot MTP; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
  • Sitkiewicz SP; Donostia International Physics Center (DIPC), Manuel Lardizabal Ibilbidea 4, 20018 Donostia, Euskadi, Spain.
  • Matito E; Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), 20080 Donostia, Euskadi, Spain.
  • Ruud K; Donostia International Physics Center (DIPC), Manuel Lardizabal Ibilbidea 4, 20018 Donostia, Euskadi, Spain.
  • Zalesny R; Ikerbasque Foundation for Science, Plaza Euskadi 5, 48009 Bilbao, Euskadi, Spain.
J Chem Theory Comput ; 18(2): 1046-1060, 2022 Feb 08.
Article en En | MEDLINE | ID: mdl-35080389
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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Año: 2022 Tipo del documento: Article
Texto completo
Imprimir
XML
PubMed Links
Search on Google

Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Año: 2022 Tipo del documento: Article