Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 35, Issue 10, Pages 772-775Publisher
WILEY
DOI: 10.1002/jcc.23542
Keywords
lanthanide; rare earth; europium; luminescence; software; LUMPAC; sparkle model
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Funding
- CNPq
- CAPES
- FAPITEC-SE
- INCT/INAMI
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In this study, we will be presenting LUMPAC (LUMinescence PACkage), which was developed with the objective of making possible the theoretical study of lanthanide-based luminescent systems. This is the first software that allows the study of luminescent properties of lanthanide-based systems. Besides being a computationally efficient software, LUMPAC is user friendly and can be used by researchers who have no previous experience in theoretical chemistry. With this new tool, we hope to enable research groups to use theoretical tools on projects involving systems that contain lanthanide ions. (c) 2014 Wiley Periodicals, Inc.
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