Elfi Kraka | SBQT 2023 | Galoá Proceedings

Computational and Theoretical Chemistry Group / Department of Chemistry / Southern Methodist University

Elfi Kraka

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Automatic generation of local vibrational mode parameters: from small to large Molecules, QM/MM systems, and lanthanide complex
JR, Renaldo Moura ¹
, mateusmquintano ²
KRAKA, Elfi ³
¹ Universidade Federal da Paraíba / Centro de Ciências Agrárias
² Southern Methodist University / Department of Chemistry / Computational and Theoretical Group
³ Computational and Theoretical Chemistry Group / Department of Chemistry / Southern Methodist University
Vol 2, 2023 -
165157

Development and/or implementation of Method/Theory

Oral

Co-authors (2)