1. Matter Lab

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos heptazine-cos_0_8Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos heptazine-cos_0_7Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos heptazine-cos_0_6Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos heptazine-cos_0_5Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos cyclazine-cos_0_9Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos cyclazine-cos_1_0Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos cyclazine-cos_1_2Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos cyclazine-cos_1_1Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
thumbnail.jpeg20-Mar-2024/SCS-ADC2/optimizations/modified_SCS_parameters pentazine_optT1Pires-Valverde, DanilloOrca; 4.2.1; RELEASEGeometry optimization---
thumbnail.jpeg20-Mar-2024/SCS-ADC2/scan_parameters/cos cyclazine-cos_0_8Pires-Valverde, DanilloTURBOMOLE; 7.5.0Single pointADC(2)def2-TZVP-
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