cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8225705
title: nextGEMS: Output of the WP6 ocean vertical mixing sensitivity runs (timeseries)

description: In work package 6 of the nextGEMS project, several ocean-only model runs were performed with FESOM (Version 2.0) and ICON-O (Version 2.6.6), to test the sensitivity of the upper tropical Atlantic to different settings of the vertical mixing scheme. Two different mixing schemes were tested: TKE and KPP. For TKE, we tested different settings of the c_k parameter (0.1, 0.2 and 0.3), and for KPP different settings of the critical bulk Richardson number (0.3 and 0.27). These runs were done with both ICON-O and FESOM, to enable a comparison of the effects of the vertical mixing settings across different models. From ICON-O only, there are some additional TKE runs available, where we increased the interior ocean background mixing, and switched on the Langmuir turbulence parameterisation. There is also an ICON-O run which uses the FESOM default forcing bulk formulae, to check how much of the differences between the models originates from their different default bulk formulae.<br> <br> All model runs are ocean only, forced with hourly ERA5 reanalysis data. The horizontal resolution is 10km (for FESOM, the extratropical regions have a coarser grid). Here we provide high-frequency (3 hourly) time series of the model output, at selected locations in the tropical Atlantic where observational data are available for comparison in the simulated time range (2014 and 2015). We provide the following locations here: 0N, 10W 0N, 23W 11.5N, 23W 15N, 38W 11N, 21.2W 17.6N, 24.3W
DOI: 10.5281/zenodo.8225706
title: nextGEMS: Output of the WP6 ocean vertical mixing sensitivity runs (timeseries)

description: In work package 6 of the nextGEMS project, several ocean-only model runs were performed with FESOM (Version 2.0) and ICON-O (Version 2.6.6), to test the sensitivity of the upper tropical Atlantic to different settings of the vertical mixing scheme. Two different mixing schemes were tested: TKE and KPP. For TKE, we tested different settings of the c_k parameter (0.1, 0.2 and 0.3), and for KPP different settings of the critical bulk Richardson number (0.3 and 0.27). These runs were done with both ICON-O and FESOM, to enable a comparison of the effects of the vertical mixing settings across different models. From ICON-O only, there are some additional TKE runs available, where we increased the interior ocean background mixing, and switched on the Langmuir turbulence parameterisation. There is also an ICON-O run which uses the FESOM default forcing bulk formulae, to check how much of the differences between the models originates from their different default bulk formulae.<br> <br> All model runs are ocean only, forced with hourly ERA5 reanalysis data. The horizontal resolution is 10km (for FESOM, the extratropical regions have a coarser grid). Here we provide high-frequency (3 hourly) time series of the model output, at selected locations in the tropical Atlantic where observational data are available for comparison in the simulated time range (2014 and 2015). We provide the following locations here: 0N, 10W 0N, 23W 11.5N, 23W 15N, 38W 11N, 21.2W 17.6N, 24.3W
DOI: 10.5281/zenodo.8238310
title: Complementary Data and Model Repository for the Publication: "Comparison of methods to calculate groundwater recharge for karst aquifers under Mediterranean climate"

description: This repository provides the resources related to the publication "Comparison of methods to calculate groundwater recharge for karst aquifers under Mediterranean climate." It includes the data sets used in the study, the SWAT model and python script for evaluation of the different methods compared in this study.
description: This work was supported by the German Federal Ministry of Education and Research (BMBF) under grant numbers 02WGR1428C and 02WM1533A. The authors would like to express their appreciation to the partners of the MedWater project. Additionally, the authors extend their gratitude to A. Hochman and M. Adinolfi from the Euro-Mediterranean Center on Climate Change (CMCC) for providing high-resolution climate projections. This publication was made possible with the support of the Open Access Publication Funds by the Technical University of Berlin.
DOI: 10.5281/zenodo.8238311
title: Complementary Data and Model Repository for the Publication: "Comparison of methods to calculate groundwater recharge for karst aquifers under Mediterranean climate"

description: This repository provides the resources related to the publication "Comparison of methods to calculate groundwater recharge for karst aquifers under Mediterranean climate." It includes the data sets used in the study, the SWAT model and python script for evaluation of the different methods compared in this study.
description: This work was supported by the German Federal Ministry of Education and Research (BMBF) under grant numbers 02WGR1428C and 02WM1533A. The authors would like to express their appreciation to the partners of the MedWater project. Additionally, the authors extend their gratitude to A. Hochman and M. Adinolfi from the Euro-Mediterranean Center on Climate Change (CMCC) for providing high-resolution climate projections. This publication was made possible with the support of the Open Access Publication Funds by the Technical University of Berlin.
DOI: 10.17185/cenide/spraysyn.78845
title: Droplet velocity and size distributions of the cold ethanol spray generated by the SpraySyn1 burner
DOI: 10.5281/zenodo.7888555
title: LIF-based quantification of the species transport during droplet impact onto thin liquid films (Dataset)

description: This database includes Supplementary Data and videos for <em>Experiments in Fluids </em>manuscript: LIF-based quantification of the species transport during droplet impact onto thin liquid films. Number of figure in the file name is changed: fig.2 to fig. 3 fig.3 to fig. 4 fig.4 to fig. 5 fig.5 to fig. 6 fig.8 to fig. 11 fig.9 to fig. 12 fig.10 to fig. 13 fig.11 to fig. 14 fig.12 to fig. 15 fig.13 to fig. 16 fig.14 to fig. 17
description: The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft (DFG) in the framework of TRR 150 (TP A07, project number 237267381).
DOI: 10.5281/zenodo.8238692
title: Menhir de Los Lagos (Campóo de Suso, Cantabria)

description: 3D model of the Los Lagos menhir. The model was done with the Scaniverse app in an iPhone 12 Pro Max. The file contains texture, material and mesh in obj format and it can be explored in Meshlab or CloudCompare among several other software 3D capable.
description: {"references": ["Guti\u00e9rrez Morillo, A. (1999): El conjunto megal\u00edtico de \"Los Lagos\": primeros agricultores-ganaderos en el valle de Campoo de Suso (Cantabria). Cuadernos de Camp\u00f3o, 17. http://www.vacarizu.es/Cuadernos/Cuaderno_17/Conjunto_megalitico_los_Lagos.htm (accessed August, 11, 2023)"]}
DOI: 10.5281/zenodo.8238691
title: Menhir de Los Lagos (Campóo de Suso, Cantabria)

description: 3D model of the Los Lagos menhir. The model was done with the Scaniverse app in an iPhone 12 Pro Max. The file contains texture, material and mesh in obj format and it can be explored in Meshlab or CloudCompare among several other software 3D capable.
description: {"references": ["Guti\u00e9rrez Morillo, A. (1999): El conjunto megal\u00edtico de \"Los Lagos\": primeros agricultores-ganaderos en el valle de Campoo de Suso (Cantabria). Cuadernos de Camp\u00f3o, 17. http://www.vacarizu.es/Cuadernos/Cuaderno_17/Conjunto_megalitico_los_Lagos.htm (accessed August, 11, 2023)"]}
DOI: 10.34740/kaggle/dsv/6286681
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.5517/ccdc.csd.cc258ts2
title: CCDC 2004484: Experimental Crystal Structure Determination

description: Related Article: Peiren Liu|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bzd0r
title: CCDC 2174154: Experimental Crystal Structure Determination

description: Related Article: Geng Tan|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f6dbd
title: CCDC 2240473: Experimental Crystal Structure Determination

description: Related Article: Aleksa Milosavljevic, Connor Holt, Alison J. Frontier|2023|Chemical Science|14|5431|doi:10.1039/D3SC00986F
description: Related Article: Alison Frontier, Aleksa Milosavljevic, Connor Holt|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fkmm8
title: CCDC 2251270: Experimental Crystal Structure Determination

description: Related Article: Eleanor Dodd, Simon J. Coles, Terry L. Threlfall|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f36d5
title: CCDC 2237406: Experimental Crystal Structure Determination

description: Related Article: B. Sahaya Infant Lasalle, Muthu Senthil Pandian, K. Anitha, P. Ramasamy|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fn7v6
title: CCDC 2253788: Experimental Crystal Structure Determination

description: Related Article: Shuigen Zhou, Yihao Chen, Kailei Li, Xiaowei Liu, Ting Zhang, Wei Shen, Ming Li, Lei Zhou, Rongxing He|2023|Chemical Science|14|5415|doi:10.1039/D3SC01762A
description: Related Article: Lei Zhou, Shuigen Zhou, Yihao Chen, Kailei Li, Xiaowei Liu, Ting Zhang, Wei Shen, Ming Li, Rongxing He|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ftwz4
title: CCDC 2259217: Experimental Crystal Structure Determination

description: Related Article: E.V.Manasova, A.V.Kurkin, V.A.Tafeenko|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ftxbj
title: CCDC 2259228: Experimental Crystal Structure Determination

description: Related Article: Laurence J. Kershaw Cook|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fv12f
title: CCDC 2259344: Experimental Crystal Structure Determination

description: Related Article: John D. Wallis, Arjun G. Pankhania|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fv3l0
title: CCDC 2259422: Experimental Crystal Structure Determination

description: Related Article: Wenzhen Lv|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fv3m1
title: CCDC 2259423: Experimental Crystal Structure Determination

description: Related Article: Wenzhen Lv|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fv3q4
title: CCDC 2259426: Experimental Crystal Structure Determination

description: Related Article: xuan wang|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.8238848
title: Endo_TS1_G16_PCM_dichloroethane_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238847
title: Endo_TS1_G16_PCM_dichloroethane_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238850
title: Endo_TS1_G16_PCM_dichloroethane_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238849
title: Endo_TS1_G16_PCM_dichloroethane_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238852
title: Endo_TS1_G16_PCM_chloroform_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238851
title: Endo_TS1_G16_PCM_chloroform_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238855
title: Endo_TS1_G16_PCM_chloroform_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238854
title: Endo_TS1_G16_PCM_chloroform_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238857
title: Endo_TS1_G16_PCM_chlorobenzene_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238856
title: Endo_TS1_G16_PCM_chlorobenzene_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238859
title: Endo_TS1_G16_PCM_chlorobenzene_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238858
title: Endo_TS1_G16_PCM_chlorobenzene_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238861
title: Endo_TS1_G16_PCM_carbon_tetrachloride_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238860
title: Endo_TS1_G16_PCM_carbon_tetrachloride_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238863
title: Endo_TS1_G16_PCM_carbon_tetrachloride_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238862
title: Endo_TS1_G16_PCM_carbon_tetrachloride_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238867
title: Endo_TS1_G16_PCM_DCM_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238866
title: Endo_TS1_G16_PCM_DCM_def2qzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238869
title: Endo_TS1_G16_PCM_DCM_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238868
title: Endo_TS1_G16_PCM_DCM_def2qzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.6556424
title: CRDM@NCRC Test Data Set Wizard and Witch vaccination project against dragon pox

description: This is a dummy data set to test restricted access. We created test data about vaccination of wizards and witches against dragon pox. The data set contains over 60 entries of the vaccination.
description: Also, some muggles are included.
DOI: 10.5281/zenodo.6556423
title: CRDM@NCRC Test Data Set Wizard and Witch vaccination project against dragon pox

description: This is a dummy data set to test restricted access. We created test data about vaccination of wizards and witches against dragon pox. The data set contains over 60 entries of the vaccination.
description: Also, some muggles are included.
DOI: 10.5281/zenodo.5718391
title: Global Mean Surface Temperatures for 100 Phanerozoic Time Intervals

description: This set of Global Mean Surface Temperature (GMST) arrays for 100 Phanerozoic time intervals (stage level) are based on HadleyCM3L simulations (Valdes et al, 2021) that have been modified to better agree with geochemical proxy data (∂18O) and more equable pole-to-equator temperature gradients deduced from lithological indicators of climate (evaporites, calcrete, coals, bauxites, and tillites, etc.) (Scotese et al., 2021). The resolution is 1x1 degrees (latitude/longitude) in three formats: grid-reference, coordinate-list, and netcdf. The accompanying pdf, “Global Mean Temperatures during the Phanerozoic”, by C. R. Scotese, describes the content and methodology used to produce these files. For more information contact: cscotese@gmail.com. *C1 technical correction to the netcdf file grid (361x181). Please cite these following sources when using these data: Scotese, C. R., Song, H., Mills, B. J. W., & van der Meer, D. G. (2021). Phanerozoic paleotemperatures: The earth’s changing climate during the last 540 million years. <em>Earth-Science Reviews</em>, <em>215</em>, 103503. https://doi.org/10.1016/j.earscirev.2021.103503 Valdes, P.J., Scotese, C.R., and Lunt, D.J. (2021). Deep Ocean Temperatures through Time, Climates of the Past, Discussions, https://doi.org/10.5194/cp-2020-83.
DOI: 10.5281/zenodo.5718392
title: Global Mean Surface Temperatures for 100 Phanerozoic Time Intervals

description: This set of Global Mean Surface Temperature (GMST) arrays for 100 Phanerozoic time intervals (stage level) are based on HadleyCM3L simulations (Valdes et al, 2021) that have been modified to better agree with geochemical proxy data (∂18O) and more equable pole-to-equator temperature gradients deduced from lithological indicators of climate (evaporites, calcrete, coals, bauxites, and tillites, etc.) (Scotese et al., 2021). The resolution is 1x1 degrees (latitude/longitude) in three formats: grid-reference, coordinate-list, and netcdf. The accompanying pdf, “Global Mean Temperatures during the Phanerozoic”, by C. R. Scotese, describes the content and methodology used to produce these files. For more information contact: cscotese@gmail.com. Please cite these following sources when using these data: Scotese, C. R., Song, H., Mills, B. J. W., & van der Meer, D. G. (2021). Phanerozoic paleotemperatures: The earth’s changing climate during the last 540 million years. <em>Earth-Science Reviews</em>, <em>215</em>, 103503. https://doi.org/10.1016/j.earscirev.2021.103503 Valdes, P.J., Scotese, C.R., and Lunt, D.J. (2021). Deep Ocean Temperatures through Time, Climates of the Past, Discussions, https://doi.org/10.5194/cp-2020-83.
DOI: 10.5281/zenodo.8238875
title: Global Mean Surface Temperatures for 100 Phanerozoic Time Intervals

description: This set of Global Mean Surface Temperature (GMST) arrays for 100 Phanerozoic time intervals (stage level) are based on HadleyCM3L simulations (Valdes et al, 2021) that have been modified to better agree with geochemical proxy data (∂18O) and more equable pole-to-equator temperature gradients deduced from lithological indicators of climate (evaporites, calcrete, coals, bauxites, and tillites, etc.) (Scotese et al., 2021). The resolution is 1x1 degrees (latitude/longitude) in three formats: grid-reference, coordinate-list, and netcdf. The accompanying pdf, “Global Mean Temperatures during the Phanerozoic”, by C. R. Scotese, describes the content and methodology used to produce these files. For more information contact: cscotese@gmail.com. *C1 technical correction to the netcdf file grid (361x181). Please cite these following sources when using these data: Scotese, C. R., Song, H., Mills, B. J. W., & van der Meer, D. G. (2021). Phanerozoic paleotemperatures: The earth’s changing climate during the last 540 million years. <em>Earth-Science Reviews</em>, <em>215</em>, 103503. https://doi.org/10.1016/j.earscirev.2021.103503 Valdes, P.J., Scotese, C.R., and Lunt, D.J. (2021). Deep Ocean Temperatures through Time, Climates of the Past, Discussions, https://doi.org/10.5194/cp-2020-83.
DOI: 10.5281/zenodo.8238888
title: Endo_TS1_G16_PCM_chlorobenzene_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238887
title: Endo_TS1_G16_PCM_chlorobenzene_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238890
title: Endo_T1_G16_PCM_chlorobenzene_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238889
title: Endo_T1_G16_PCM_chlorobenzene_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238892
title: Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238891
title: Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238894
title: Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238893
title: Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238896
title: Endo_TS1_G16_PCM_DCM_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238895
title: Endo_TS1_G16_PCM_DCM_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238898
title: Endo_TS1_G16_PCM_DCM_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238897
title: Endo_TS1_G16_PCM_DCM_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238900
title: Endo_TS1_G16_PCM_chloroform_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238899
title: Endo_TS1_G16_PCM_chloroform_WB97XD_def2tzvpp_v_01_reactant

description: Gaussian 16 (C01) calculation
DOI: 10.5281/zenodo.8238902
title: Endo_TS1_G16_PCM_chloroform_WB97XD_def2tzvpp_v_01

description: Gaussian 16 (C01) calculation