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Title: adenine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd
Authors: Pearce, Harrison
Issue Date: 18-Apr-2024
Publisher: Barcelona Supercomputing Center
San Diego State University
Description: Adenine molecule. TD-B3LYP/aug-cc-pVDZ+SMD=water+GD3BJ single point calculation. Geometry at B3LYP/cc-pVDZ+SMD=water.
URI: https://iochem-bd.bsc.es/browse/handle/100/320117
Appears in Collections:TD-DFT_Nucleobases_and_nucleobase_analogues - DOI: 10.19061/iochem-bd-6-353



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/320117

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