TY - RPRT TI - NWChem AU - Apra, Edoardo [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)] (0000000159550734) AU - Mejia-Rodriguez, Daniel [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (0000000203502941) AU - Govind, Niranjan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (000000033625366X) AU - Bylaska, EricJ AU - Kowalski, Karol AU - Harrison, RobertJ AU - Straatsma, TjerkP [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (000000015150643X) AU - van Dam, Hubertus [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (0000000208763294) AU - de Jong, Wibe AU - Windus, TheresaL AU - Valiev, Marat [US Department of Energy (USDOE), Washington, DC (United States). Office of Science, Basic Energy Sciences (BES)] (0000000161271988) PY - 2023 DO - 10.11578/dc.20240613.3 UR - https://www.osti.gov/biblio/code-128811 ID - code-128811 ER -