MobCal-MPI

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This dataset derived results are published in:

Manuscript title: MobCal-MPI 2.0: An Accurate and Parallelized Package for Calculating Field-Dependent Collision Cross Sections and Ion Mobilities

DOI: 10.1039/D3AN00545C

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg1245_BENZENETETRAMINE_1Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-454.10059544; Eh
thumbnail.jpeg1_2DITHIOLE3THIONE_1Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1310.39468853; Eh
thumbnail.jpeg1_2DITHIOLE3THIONE_2Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1310.40564134; Eh
thumbnail.jpeg1_2DITHIOLE3THIONE_3Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1310.46264044; Eh
thumbnail.jpeg23_OH_67CLQUINOXALINEIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1488.05559204; Eh
thumbnail.jpeg2AMINOETHYLPHOS_2Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-703.34673523; Eh
thumbnail.jpeg2AMINOETHYLPHOS_3Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-703.34069865; Eh
thumbnail.jpeg2AminoEthylPhosIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-703.36398290; Eh
thumbnail.jpeg2_MERCAPTOBENZOTHIAZOLE_1Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1121.29935990; Eh
thumbnail.jpeg2_MERCAPTOBENZOTHIAZOLE_2Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1121.22738025; Eh
thumbnail.jpeg345_TRIBROMOPYRIDINEIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-7969.48751923; Eh
thumbnail.jpeg4AMINOSALICYLIC_ACID_NPROTIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-551.82797331; Eh
thumbnail.jpeg4AMINOSALICYLIC_ACID_OPROTIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-551.84053632; Eh
thumbnail.jpeg57_DICHLORO_8_QUINOLINOLIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1396.77973588; Eh
thumbnail.jpeg910_DIHYDRO_99_DIMETHYLACRIDINEIeritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-635.79678095; Eh
thumbnail.jpeg9_10H_Acridanone_2Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-631.22535175; Eh
thumbnail.jpegACETAMINOPHEN_1Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-515.89306550; Eh
thumbnail.jpegACETAMINOPHEN_2Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-515.89748299; Eh
thumbnail.jpegACETOHEXAMIDE_1Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1392.73512949; Eh
thumbnail.jpegACETOHEXAMIDE_2Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASE-def2-TZVPP-1392.73564841; Eh
Collection's Items (Sorted by in order): 1 to 20 of 1085
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