cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7483/opendata.cms.zsgi.jcqn
title: /NMSSM_XToYHTo2G2B_MX-400_MY-80_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.ykuj.dt2u
title: /NMSSM_XToYHTo2G2B_MX-400_MY-90_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.0ksw.9aob
title: /NMSSM_XToYHTo2G2B_MX-400_MY-90_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.fvq2.d8ml
title: /NMSSM_XToYHTo2G2B_MX-450_MY-100_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.q9lc.mf4s
title: /NMSSM_XToYHTo2G2B_MX-450_MY-100_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.pona.85ef
title: /NMSSM_XToYHTo2G2B_MX-450_MY-125_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.6pj9.3ndt
title: /NMSSM_XToYHTo2G2B_MX-450_MY-125_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.q51q.v8zq
title: /NMSSM_XToYHTo2G2B_MX-450_MY-150_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.5281/zenodo.14637535
title: CLIMADAT-GRid: A high-resolution (1 km x 1 km) daily gridded precipitation and temperature dataset for Greece

description: CLIMADAT-GRid is a gridded climate dataset for Greece, for air temperature and precipitation. It covers the years 1981–2019 and has a high resolution of 1 km x 1 km. The dataset is based on quality-controlled and homogenized daily measurements from a large network of meteorological stations: 122 for temperature and 312 for precipitation. The CLIMADAT-GRid dataset includes the following variables (with short names and units in brackets): daily precipitation sums (pr, mm), daily mean air temperature (tg, oC), daily maximum air temperature (tx, oC), daily minimum air temperature (tn, oC), surface altitude (orog, m), and the CLIMADAT-GRid land-sea mask (mask, 1).
DOI: 10.5281/zenodo.14637536
title: CLIMADAT-GRid: A high-resolution (1 km x 1 km) daily gridded precipitation and temperature dataset for Greece

description: CLIMADAT-GRid is a gridded climate dataset for Greece, for air temperature and precipitation. It covers the years 1981–2019 and has a high resolution of 1 km x 1 km. The dataset is based on quality-controlled and homogenized daily measurements from a large network of meteorological stations: 122 for temperature and 312 for precipitation. The CLIMADAT-GRid dataset includes the following variables (with short names and units in brackets): daily precipitation sums (pr, mm), daily mean air temperature (tg, oC), daily maximum air temperature (tx, oC), daily minimum air temperature (tn, oC), surface altitude (orog, m), and the CLIMADAT-GRid land-sea mask (mask, 1).
DOI: 10.7483/opendata.cms.ehsb.czei
title: /NMSSM_XToYHTo2G2B_MX-450_MY-150_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.ir88.e697
title: /NMSSM_XToYHTo2G2B_MX-450_MY-170_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.9p2r.yy86
title: /NMSSM_XToYHTo2G2B_MX-450_MY-170_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.53eu.ggvg
title: /NMSSM_XToYHTo2G2B_MX-450_MY-190_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.17028/rd.lboro.28196120
title: Supplementary information files for "Generous to a fault: differential impact of CSR investments on financial gains in Indian market multinationals"

description: Supplementary files for article "Generous to a fault: differential impact of CSR investments on financial gains in Indian market multinationals"o date, the extant Corporate Social Responsibility (CSR) literature has overlooked the performance consequences of different forms of CSR investments made by Emerging Market Multinational Corporations (EMNCs). Addressing this knowledge gap, and drawing on legitimacy theory, we examine the impact of external CSR investments (e.g., social and community philanthropic support activities) and internal CSR investments (e.g., working conditions, employee rights and equal employment opportunities) on financial performance of EMNCs, while also accounting for the moderating effects of internationalization location choices. We test our hypotheses on a panel consisting of 1513 unique Indian EMNCs, in the 2014–2019 time-period. On applying various estimation techniques, the findings reveal that both external and internal CSR investments are positively associated with financial performance of EMNCs, while the destination location of foreign investments and home-host geographic and institutional distance moderate these relationships. This study offers new empirical evidence on the financial implications of different types of CSR investments available to EMNCs and advances legitimacy theory by expanding its dimensional and contextual scope.©The Authors, CC BY 4.0
DOI: 10.17028/rd.lboro.28196120.v1
title: Supplementary information files for "Generous to a fault: differential impact of CSR investments on financial gains in Indian market multinationals"

description: Supplementary files for article "Generous to a fault: differential impact of CSR investments on financial gains in Indian market multinationals"o date, the extant Corporate Social Responsibility (CSR) literature has overlooked the performance consequences of different forms of CSR investments made by Emerging Market Multinational Corporations (EMNCs). Addressing this knowledge gap, and drawing on legitimacy theory, we examine the impact of external CSR investments (e.g., social and community philanthropic support activities) and internal CSR investments (e.g., working conditions, employee rights and equal employment opportunities) on financial performance of EMNCs, while also accounting for the moderating effects of internationalization location choices. We test our hypotheses on a panel consisting of 1513 unique Indian EMNCs, in the 2014–2019 time-period. On applying various estimation techniques, the findings reveal that both external and internal CSR investments are positively associated with financial performance of EMNCs, while the destination location of foreign investments and home-host geographic and institutional distance moderate these relationships. This study offers new empirical evidence on the financial implications of different types of CSR investments available to EMNCs and advances legitimacy theory by expanding its dimensional and contextual scope.©The Authors, CC BY 4.0
DOI: 10.7483/opendata.cms.mnjg.b0o2
title: /NMSSM_XToYHTo2G2B_MX-450_MY-190_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.wbpc.36ma
title: /NMSSM_XToYHTo2G2B_MX-450_MY-250_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.c0bk.7yra
title: /NMSSM_XToYHTo2G2B_MX-450_MY-250_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.jvz6.5x1r
title: /NMSSM_XToYHTo2G2B_MX-450_MY-300_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.62n4.t6bc
title: /NMSSM_XToYHTo2G2B_MX-450_MY-300_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.eiyc.h6eq
title: /NMSSM_XToYHTo2G2B_MX-450_MY-60_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.etd4.jiid
title: /NMSSM_XToYHTo2G2B_MX-450_MY-60_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.szl3.fzlw
title: /NMSSM_XToYHTo2G2B_MX-450_MY-70_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.15468/dl.cvn8pc
title: Occurrence Download

description: A dataset containing 55603 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Anopheles punctipennis (Say, 1823)"
 ]
}

 The dataset includes 55603 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0068300-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25448/lbu.25634661
title: MANTIS WP2 Water Professionals Interviews

description: Innovate UK Phase 1 MANTIS (Monitoring and ANalytics To Improve Service) Project, Work Package 2, Water Professional Interviews dataset
DOI: 10.25448/lbu.25634661.v1
title: MANTIS WP2 Water Professionals Interviews

description: Innovate UK Phase 1 MANTIS (Monitoring and ANalytics To Improve Service) Project, Work Package 2, Water Professional Interviews dataset
DOI: 10.7483/opendata.cms.liyv.tjnd
title: /NMSSM_XToYHTo2G2B_MX-450_MY-70_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.26m2.iyau
title: /NMSSM_XToYHTo2G2B_MX-450_MY-80_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.at18.vg6r
title: /NMSSM_XToYHTo2G2B_MX-450_MY-80_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.0jkb.2x5q
title: /NMSSM_XToYHTo2G2B_MX-450_MY-90_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.fbr6.px5p
title: /NMSSM_XToYHTo2G2B_MX-450_MY-90_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.a480.1ihs
title: /NMSSM_XToYHTo2G2B_MX-500_MY-100_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.etm1.3yzm
title: /NMSSM_XToYHTo2G2B_MX-500_MY-100_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.15468/dl.3j5exp
title: Occurrence Download

description: A dataset containing 38730 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Anopheles quadrimaculatus Say, 1824"
 ]
}

 The dataset includes 38730 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0068302-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7483/opendata.cms.12vc.11s7
title: /NMSSM_XToYHTo2G2B_MX-500_MY-125_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.du7v.yb6i
title: /NMSSM_XToYHTo2G2B_MX-500_MY-125_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.1nt5.hw97
title: /NMSSM_XToYHTo2G2B_MX-500_MY-150_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.e0q8.pkfm
title: /NMSSM_XToYHTo2G2B_MX-500_MY-150_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.1po6.j3sf
title: /NMSSM_XToYHTo2G2B_MX-500_MY-170_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.kaoj.jyme
title: /NMSSM_XToYHTo2G2B_MX-500_MY-170_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.3zzt.tv1p
title: /NMSSM_XToYHTo2G2B_MX-500_MY-190_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.ecsn.6dcw
title: /NMSSM_XToYHTo2G2B_MX-500_MY-190_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.8fh3.gyiy
title: /NMSSM_XToYHTo2G2B_MX-500_MY-250_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.25qj.x4pl
title: /NMSSM_XToYHTo2G2B_MX-500_MY-250_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.9mi5.ad8s
title: /NMSSM_XToYHTo2G2B_MX-500_MY-300_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.17028/rd.lboro.28196009
title: Supplementary Information files for "Pollution, severe health conditions, and extreme right-wing ideology: a tale of three contemporary challenges"

description: Supplementary files for article "Pollution, severe health conditions, and extreme right-wing ideology: a tale of three contemporary challenges"<br>By exploiting the microgeography of local air pollution at the 1km-by-1km grid-level, we link local air quality to the voting intentions of a nationally-representative sample of 27,000 UK residents. We find a causal link between air pollution and support for far-right parties: a unit increase in pollution leads to a 3% rise in the probability to support these parties. These intentions are stronger for lung disease and cancer sufferers.<br>© The Authors, CC BY 4.0<br>
DOI: 10.17028/rd.lboro.28196009.v1
title: Supplementary Information files for "Pollution, severe health conditions, and extreme right-wing ideology: a tale of three contemporary challenges"

description: Supplementary files for article "Pollution, severe health conditions, and extreme right-wing ideology: a tale of three contemporary challenges"<br>By exploiting the microgeography of local air pollution at the 1km-by-1km grid-level, we link local air quality to the voting intentions of a nationally-representative sample of 27,000 UK residents. We find a causal link between air pollution and support for far-right parties: a unit increase in pollution leads to a 3% rise in the probability to support these parties. These intentions are stronger for lung disease and cancer sufferers.<br>© The Authors, CC BY 4.0<br>
DOI: 10.7483/opendata.cms.qvsr.elv1
title: /NMSSM_XToYHTo2G2B_MX-500_MY-300_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.8uu2.bko3
title: /NMSSM_XToYHTo2G2B_MX-500_MY-350_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.0h8o.tzzn
title: /NMSSM_XToYHTo2G2B_MX-500_MY-350_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.k7ky.p06f
title: /NMSSM_XToYHTo2G2B_MX-500_MY-60_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.9etp.b3ag
title: /NMSSM_XToYHTo2G2B_MX-500_MY-60_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.xnfq.r4yh
title: /NMSSM_XToYHTo2G2B_MX-500_MY-70_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.tnuj.3g6i
title: /NMSSM_XToYHTo2G2B_MX-500_MY-70_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.5zvd.jmvg
title: /NMSSM_XToYHTo2G2B_MX-500_MY-80_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.oxvs.7xsk
title: /NMSSM_XToYHTo2G2B_MX-500_MY-80_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.4ou2.t0sr
title: /NMSSM_XToYHTo2G2B_MX-500_MY-90_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.1kay.zj96
title: /NMSSM_XToYHTo2G2B_MX-500_MY-90_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.bzvc.sbxw
title: /NMSSM_XToYHTo2G2B_MX-550_MY-100_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.15468/dl.kaeys5
title: Occurrence Download

description: A dataset containing 948952 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((27.12302 40.92624,29.28367 40.92624,29.28367 43.62259,27.12302 43.62259,27.12302 40.92624))",
 "HasCoordinate is true",
 "TaxonKey is Aves"
 ]
}

 The dataset includes 948952 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0068234-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17028/rd.lboro.28108010
title: Supplementary information files for "Quantification of the ionic character of multiconfigurational wave functions: the <i>Q</i><sub>a</sub><sup>t</sup> diagnostic"

description: Supplementary files for article "Quantification of the ionic character of multiconfigurational wave functions: the <i>Q</i><sub>a</sub><sup>t</sup> diagnostic"The complete active space self-consistent field (CASSCF) method is a cornerstone in modern excited-state quantum chemistry providing the starting point for most common multireference computations. However, CASSCF, when used with a minimal active space, can produce significant errors (&gt;2 eV) even for the excitation energies of simple hydrocarbons if the states of interest possess ionic character. After illustrating this problem in some detail, we present a diagnostic for ionic character, denoted as Q<sub>a</sub><sup>t</sup>, that is readily computed from the transition density. A set of 11 molecules is considered to study errors in vertical excitation energies. State-averaged CASSCF obtains a mean absolute error (MAE) of 0.87 eV for the 34 singlet states considered. We highlight a strong correlation between the obtained errors and the Q <sub>a</sub><sup>t</sup><sup> </sup>diagnostic, illustrating its power to predict problematic cases. Conversely, using multireference configuration interaction with single and double excitations and Pople’s size extensivity correction (MR-CISD+P), excellent results are obtained with an MAE of 0.11 eV. Furthermore, correlations with the Q<sub> </sub><sub>a</sub><sup>t</sup> diagnostic disappear. In summary, we hope that the presented diagnostic will facilitate reliable and user-friendly multireference computations on conjugated organic molecules.© The Authors, CC BY 4.0
DOI: 10.17028/rd.lboro.28108010.v1
title: Supplementary information files for "Quantification of the ionic character of multiconfigurational wave functions: the <i>Q</i><sub>a</sub><sup>t</sup> diagnostic"

description: Supplementary files for article "Quantification of the ionic character of multiconfigurational wave functions: the <i>Q</i><sub>a</sub><sup>t</sup> diagnostic"The complete active space self-consistent field (CASSCF) method is a cornerstone in modern excited-state quantum chemistry providing the starting point for most common multireference computations. However, CASSCF, when used with a minimal active space, can produce significant errors (&gt;2 eV) even for the excitation energies of simple hydrocarbons if the states of interest possess ionic character. After illustrating this problem in some detail, we present a diagnostic for ionic character, denoted as Q<sub>a</sub><sup>t</sup>, that is readily computed from the transition density. A set of 11 molecules is considered to study errors in vertical excitation energies. State-averaged CASSCF obtains a mean absolute error (MAE) of 0.87 eV for the 34 singlet states considered. We highlight a strong correlation between the obtained errors and the Q <sub>a</sub><sup>t</sup><sup> </sup>diagnostic, illustrating its power to predict problematic cases. Conversely, using multireference configuration interaction with single and double excitations and Pople’s size extensivity correction (MR-CISD+P), excellent results are obtained with an MAE of 0.11 eV. Furthermore, correlations with the Q<sub> </sub><sub>a</sub><sup>t</sup> diagnostic disappear. In summary, we hope that the presented diagnostic will facilitate reliable and user-friendly multireference computations on conjugated organic molecules.© The Authors, CC BY 4.0
DOI: 10.7483/opendata.cms.317z.g2nk
title: /NMSSM_XToYHTo2G2B_MX-550_MY-100_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.m3ho.30i1
title: /NMSSM_XToYHTo2G2B_MX-550_MY-125_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.7483/opendata.cms.71bs.k5j3
title: /NMSSM_XToYHTo2G2B_MX-550_MY-125_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16NanoAODv9-106X_mcRun2_asymptotic_v17-v1/NANOAODSIM
DOI: 10.7483/opendata.cms.33k8.2dyl
title: /NMSSM_XToYHTo2G2B_MX-550_MY-150_TuneCP5_13TeV-madgraph-pythia8/RunIISummer20UL16MiniAODv2-106X_mcRun2_asymptotic_v17-v2/MINIAODSIM
DOI: 10.25592/uhhfdm.14837
title: X-Ray Fluorescence and Reflectography Data from Hamburg, Staats- und Universitätsbibliothek Hamburg Carl von Ossietzky, P. demot. 3

description: XRF (Bruker M6 JetStream: 50kV, 600 µA, maps with 70 to 200 µm steps and 40-50 ms per pixel) and  reflectography (DinoLite AD4113T-I2V: x40 magnification, vis, NIR ~940 nm and UV ~395 nm light) analysis of inks from P. demot. 3 from the Staats- und Universitätsbibliothek Hamburg Carl von Ossietzky.

P. demot. 3 (P. Hawara 23, Tm 41479, SB 24 16163) is a papyrus with a contract in Demotic and a registration note in Greek. It also features traces of red stamps on the verso. It come from the Arsinoites nome (Fayum) and is dated to 67 BCE. The inks are carbon-based. Only minor traces of iron were found in the demotic part, visible in the map of the demotic detail. The stamps could not be directly analysed for conservation reasons, but are visible from XRF maps made on the recto. They appear to contain iron, with traces of potassium and sulphur. They are probably made of iron ochre.


 PDem3_Reflectography.zip - complete reflectography dataset
 PDem3_XRF.zip - complete XRF dataset
 PDem3_XRF_Protocol.pptx - XRF protocol
 PDem3r_Reflectography_Protocol - Reflectography protocol of the recto
 PDem3v_Reflectography_Protocol - Reflectography protocol of the verso
description: The research for project RFK02 was funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy – EXC 2176 'Understanding Written Artefacts: Material, Interaction and Transmission in Manuscript Cultures', project no. 390893796. The research was conducted within the scope of the Centre for the Study of Manuscript Cultures (CSMC) at Universität Hamburg.
DOI: 10.5281/zenodo.14643918
title: 16s sequencing data at the Genus level of Microbiota composition in in rats with different nervous system excitability
DOI: 10.5281/zenodo.14643919
title: 16s sequencing data at the Genus level of Microbiota composition in in rats with different nervous system excitability