cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21227/c6t8-ge47
title: HANDMI4

description: HANDMI4The dataset contains motion capture data of the human hand of 20 healthy subjects acquired using two different motion capture technology (wearable IMU and camera-based). This database provides an opportunity to expand the fields of research involving the hands or their range of mobility. Indeed, using this database to train AI's net to recognise gestures/tasks is an excellent beginning point for expanding the field of human-robot collaboration.This work is licensed under the Creative Commons Attribution 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ or send a letter to Creative Commons, PO Box 1866, Mountain View, CA 94042, USA.
DOI: 10.6084/m9.figshare.20509353
title: Associations between nausea and vomiting in pregnancy, disgust sensitivity, and first-trimester maternal serum free-β hCG and PAPP-A

description: We prospectively collected two independent samples (S1 and S2) of women in the first trimester of pregnancy, who completed the Index of Nausea, Vomiting, and Retching and Disgust Scale-Revised (in S2 also Three domains disgust scale). We also measured free β-human chorionic gonadotropin (hCG) and pregnancy-associated plasma protein A (PAPP-A) in maternal serum. In both samples, we included women who conceived naturally (no assisted reproduction or hormonal treatment) after a singleton pregnancy. S1 consisted of 202 women recruited between November 2017 and November 2019, before the COVID-19 pandemic. S2 consisted of 397 women recruited between March 2020 and January 2021, during the COVID-19 pandemic.
DOI: 10.6084/m9.figshare.20509353.v2
title: Associations between nausea and vomiting in pregnancy, disgust sensitivity, and first-trimester maternal serum free-β hCG and PAPP-A

description: We prospectively collected two independent samples (S1 and S2) of women in the first trimester of pregnancy, who completed the Index of Nausea, Vomiting, and Retching and Disgust Scale-Revised (in S2 also Three domains disgust scale). We also measured free β-human chorionic gonadotropin (hCG) and pregnancy-associated plasma protein A (PAPP-A) in maternal serum. In both samples, we included women who conceived naturally (no assisted reproduction or hormonal treatment) after a singleton pregnancy. S1 consisted of 202 women recruited between November 2017 and November 2019, before the COVID-19 pandemic. S2 consisted of 397 women recruited between March 2020 and January 2021, during the COVID-19 pandemic.
DOI: 10.5281/zenodo.7439485
title: Whisker vibrations measured with acoustic methods

description: Original voltage traces measured with a mouse whisker of 21.5mm long that is consecutively trimmed. Data are used for all figures in the manuscript
DOI: 10.5281/zenodo.7439484
title: Whisker vibrations measured with acoustic methods

description: Original voltage traces measured with a mouse whisker of 21.5mm long that is consecutively trimmed. Data are used for all figures in the manuscript
DOI: 10.5281/zenodo.7637446
title: comprobatorios_memorial

description: Documentação comprobatória de Memorial
DOI: 10.5281/zenodo.7637445
title: comprobatorios_memorial

description: Documentação comprobatória de Memorial
DOI: 10.5281/zenodo.7637454
title: Risk of bias in assessed studies for LSR: Antiplatelet agents for the treatment of adults with COVID-19

description: This is our RoB2 excel sheet, in which detailled information about our risk of bias rating can be found. This concerns the outcomes of studies included in our LSR Antiplatelet agents for the treatment of adults with COVID-19. The first version is published before publication of the review.
DOI: 10.5281/zenodo.7637453
title: Risk of bias in assessed studies for LSR: Antiplatelet agents for the treatment of adults with COVID-19

description: This is our RoB2 excel sheet, in which detailled information about our risk of bias rating can be found. This concerns the outcomes of studies included in our LSR Antiplatelet agents for the treatment of adults with COVID-19. The first version is published before publication of the review.
DOI: 10.6084/m9.figshare.21273609.v1
title: Bos taurus pangenome graph

description: Bos taurus pangenome graph data for UCSC assembly hub
DOI: 10.17608/k6.auckland.21341415
title: Little penguin Spectramax transmission.xlsx

description: These are the raw data obtained using a SpectraMax 13x (Molecular Devices Inc, San Jose, CA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea, lens, vitreous, nictitating membrane) and through the whole eye of the little penguin <em>Eudyptula minor</em>. There is both the raw transmission data (and, for L1, absorbance data, from which transmission is calculated) and the amount transmitted compared with the amount transmitted at 700 nm, expressed as a decimel where the transmission at 700 nm is 1.
DOI: 10.17608/k6.auckland.21341415.v1
title: Little penguin Spectramax transmission.xlsx

description: These are the raw data obtained using a SpectraMax 13x (Molecular Devices Inc, San Jose, CA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea, lens, vitreous, nictitating membrane) and through the whole eye of the little penguin <em>Eudyptula minor</em>. There is both the raw transmission data (and, for L1, absorbance data, from which transmission is calculated) and the amount transmitted compared with the amount transmitted at 700 nm, expressed as a decimel where the transmission at 700 nm is 1.
DOI: 10.17608/k6.auckland.21341418
title: Gentoo USB2000 transmission.xlsx

description: These are the raw data obtained using a USB2000+ (Ocean Optics, Dunedin, Florida, USA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea and lens) and through the whole eye of gentoo penguins <em>Pygoscelis papua</em>; this is compared to the light recorded with no structure in place and from both is subtracted the light recorded with no actual light on. There is both the raw transmission data and the amount transmitted compared with the amount transmitted at 700 nm (SpectraMax), expressed as a decimel where the average transmission between 650 and 750 nm is 1.
DOI: 10.17608/k6.auckland.21341418.v1
title: Gentoo USB2000 transmission.xlsx

description: These are the raw data obtained using a USB2000+ (Ocean Optics, Dunedin, Florida, USA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea and lens) and through the whole eye of gentoo penguins <em>Pygoscelis papua</em>; this is compared to the light recorded with no structure in place and from both is subtracted the light recorded with no actual light on. There is both the raw transmission data and the amount transmitted compared with the amount transmitted at 700 nm (SpectraMax), expressed as a decimel where the average transmission between 650 and 750 nm is 1.
DOI: 10.17608/k6.auckland.21341421
title: King penguin Spectramax transmission.xlsx

description: These are the raw data obtained using a SpectraMax 13x (Molecular Devices Inc, San Jose, CA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea, lens, vitreous and nictitating membrane) and through the whole eye of the king penguin <em>Aptenodytes patagonicus</em>. There is both the raw transmission data (and, for K4, absorbance data, from which transmission is calculated) and the amount transmitted compared with the amount transmitted at 700 nm, expressed as a decimel where the transmission at 700 nm is 1.
DOI: 10.17608/k6.auckland.21341424
title: Gentoo penguin Spectramax transmission.xlsx

description: These are the raw data obtained using a SpectraMax 13x (Molecular Devices Inc, San Jose, CA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea, lens, vitreous and nictitating membrane) and through the whole eye of the gentoo penguin <em>Pygoscelis papua</em>. There is both the raw transmission data (and, for G2, absorbance data, from which transmission is calculated) and the amount transmitted compared with the amount transmitted at 700 nm, expressed as a decimel where the transmission at 700 nm is 1.
DOI: 10.17608/k6.auckland.21341427
title: King USB2000 transmission.xlsx

description: These are the raw data obtained using a USB2000+ (Ocean Optics, Dunedin, Florida, USA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea and lens) and through the whole eye of king penguins <em>Aptenodytes patagonicus</em>; this is compared to the light recorded with no structure in place and from both is subtracted the light recorded with no actual light on. There is both the raw transmission data and the amount transmitted compared with the amount transmitted at 700 nm (SpectraMax), expressed as a decimel where the average transmission between 650 and 750 nm is 1.
DOI: 10.17608/k6.auckland.21341427.v1
title: King USB2000 transmission.xlsx

description: These are the raw data obtained using a USB2000+ (Ocean Optics, Dunedin, Florida, USA) to determine the amount of light at each given wavelength transmitted through various ocular structures (cornea and lens) and through the whole eye of king penguins <em>Aptenodytes patagonicus</em>; this is compared to the light recorded with no structure in place and from both is subtracted the light recorded with no actual light on. There is both the raw transmission data and the amount transmitted compared with the amount transmitted at 700 nm (SpectraMax), expressed as a decimel where the average transmission between 650 and 750 nm is 1.
DOI: 10.5281/zenodo.7637465
title: documentacao_comprobatoria

description: Documentos em formato .pdf comprobatórios do memorial
DOI: 10.5281/zenodo.7637464
title: documentacao_comprobatoria

description: Documentos em formato .pdf comprobatórios do memorial
DOI: 10.5281/zenodo.7632159
title: Experimental data of "High-field 1/f noise in hBN-encapsulated graphene transistors"

description: Current-to-voltage characteristics along with flicker noise amplitude (A factor, description given in the paper) of the devices studied in the main and supplementary text of the article " by A. Schmitt et al. Dimensions of devices are provided in the article
DOI: 10.5281/zenodo.7632158
title: Experimental data of "High-field 1/f noise in hBN-encapsulated graphene transistors"

description: Current-to-voltage characteristics along with flicker noise amplitude (A factor, description given in the paper) of the devices studied in the main and supplementary text of the article " by A. Schmitt et al. Dimensions of devices are provided in the article
DOI: 10.22003/xfel.eu-data-003078-00
title: Simultaneously Track Collective Charge and Magnetic Excitations in Electron-Doped Cuprates using Time-Resolved RIXS
DOI: 10.6084/m9.figshare.3761562.v2495
title: Online Labour Index: Measuring the Online Gig Economy for Policy and Research

description: Data repository for the data underlying the Online Labour Index. See http://ilabour.oii.ox.ac.uk online-labour-index/ for details.
DOI: 10.3886/icpsr38646.v1
title: Collaborative Research: Summer Training Program to Broaden Participation in Graduate Education in Economics, United States, 2016-2020
title: Version 1

description: Since 1974, the American Economic Association Summer Training Program (AEASP) has been preparing talented undergraduates from all over the country for doctoral programs in Economics and related disciplines with the goal of broadening diversity in the profession. AEASP is a program that enables students to develop and solidify technical skills in preparation for the rigors of graduate studies. As many as 20% of PhDs awarded to minorities in economics over the past 20 years are graduates of the program. The American Economic Association Summer Training Program (AEASP) was hosted by Michigan State University from 2016 to 2020. Over the course of the five years, the program collected data on program applicants, accepted students, program and course evaluations, and post-program follow-up surveys with program alumni.
description: Over the course of the five years, the program collected data on program applicants, accepted students, program and course evaluations, and post-program follow-up surveys with program alumni.
description: This study contains four categories of datasets: application, course evaluation, exit interview, and phone interview data. Variables in the application datasets include information about participant's academic and family history, and demographics. Variables in the course evaluation datasets include information about participant's opinions of the courses in the AEASP program. Exit interview datasets include information about participant's post-program plans and a program review.
description: Datasets: DS0: Study-Level Files DS1: Application Data 2016 DS2: Application Data 2017 DS3: Application Data 2018 DS4: Application Data 2019 DS5: Application Data 2020 DS6: Course Evaluation Data 2016 DS7: Course Evaluation Data 2017 DS8: Course Evaluation Data 2018 DS9: Course Evaluation Data 2019 DS10: Course Evaluation Data 2020 DS11: Exit Interview Data 2017 DS12: Exit Interview Data 2018 DS13: Exit Interview Data 2019 DS14: Exit Interview Data 2020 DS15: Phone Interview Data 2016 DS16: Phone Interview Data 2017 DS17: Phone Interview Data 2018
description: College students who attended the American Economic Association Summer Training Program any time from 2016-2020. Smallest Geographic Unit: Country
description: telephone interview
DOI: 10.5281/zenodo.7631327
title: LAMMPS trajectories for "The disordered N-terminal tail of SARS CoV-2 Nucleocapsid protein forms a dynamic complex with RNA"

description: <strong>LAMMPS trajectory data for:</strong><br> <strong>The disordered N-terminal tail of SARS CoV-2 Nucleocapsid protein forms a dynamic complex with RNA</strong><br> Jasmine Cubuk<sup>1,2</sup>, Jhullian J. Alston<sup>1,2</sup>, J. Jeremías Incicco<sup>1,2</sup>, Alex S. Holehouse<sup>1,2</sup>, Kathleen B Hall<sup>1</sup>, Melissa D. Stuchell-Brereton<sup>1,2</sup>, Andrea Soranno<sup>1,2,*</sup> <sup>1</sup>Department of Biochemistry and Molecular Biophysics, Washington University in St Louis, 660 St Euclid Ave, 63110, Saint Louis, MO, USA <sup>2</sup>Center for Biomolecular Condensates, Washington University in St Louis, 1 Brookings Drive, 63130, Saint Louis, MO, USA <strong>Corresponding author: </strong>Andrea Soranno (soranno@wustl.edu)<br> <strong>Questions about simulations: </strong>Alex Holehouse (alex.holehouse@wustl.edu) <strong>Preprint link: </strong>https://doi.org/10.1101/2023.02.10.527914 <strong>GitHub link to simulation info:</strong> https://github.com/holehouse-lab/supportingdata/tree/master/2023/cubuk_2023 <strong>Funding: </strong>This research was supported by the NIH National Institute on Allergic and Infectious Diseases with R01AI163142 (to A.S., A.S.H.) and by the NIH National Cancer Institute F99CA264413 (to J.J.A.).
DOI: 10.5281/zenodo.7631326
title: LAMMPS trajectories for "The disordered N-terminal tail of SARS CoV-2 Nucleocapsid protein forms a dynamic complex with RNA"

description: <strong>LAMMPS trajectory data for:</strong><br> <strong>The disordered N-terminal tail of SARS CoV-2 Nucleocapsid protein forms a dynamic complex with RNA</strong><br> Jasmine Cubuk<sup>1,2</sup>, Jhullian J. Alston<sup>1,2</sup>, J. Jeremías Incicco<sup>1,2</sup>, Alex S. Holehouse<sup>1,2</sup>, Kathleen B Hall<sup>1</sup>, Melissa D. Stuchell-Brereton<sup>1,2</sup>, Andrea Soranno<sup>1,2,*</sup> <sup>1</sup>Department of Biochemistry and Molecular Biophysics, Washington University in St Louis, 660 St Euclid Ave, 63110, Saint Louis, MO, USA <sup>2</sup>Center for Biomolecular Condensates, Washington University in St Louis, 1 Brookings Drive, 63130, Saint Louis, MO, USA <strong>Corresponding author: </strong>Andrea Soranno (soranno@wustl.edu)<br> <strong>Questions about simulations: </strong>Alex Holehouse (alex.holehouse@wustl.edu) <strong>Preprint link: </strong>https://doi.org/10.1101/2023.02.10.527914 <strong>GitHub link to simulation info:</strong> https://github.com/holehouse-lab/supportingdata/tree/master/2023/cubuk_2023 <strong>Funding: </strong>This research was supported by the NIH National Institute on Allergic and Infectious Diseases with R01AI163142 (to A.S., A.S.H.) and by the NIH National Cancer Institute F99CA264413 (to J.J.A.).
DOI: 10.14469/hpc/8243
title: A comparison of the figures-of-merit for nitrogen reduction on nitrogenase, solid electrodes and homogeneous catalysts

description: This document estimates the operating potentials on the RHE scale, the turnover frequencies (TOF) and turnover numbers (TON) for four different electrochemical nitrogen reduction systems over a solid electrode, the Schrock homogeneous catalyst for nitrogen reduction5 and nitrogenase. An idealised target electrode is also considered. This formulation allows for greater ease of comparison between homogeneous systems, enzymes and solid electrodes.
DOI: 10.14469/hpc/10205
title: PhICCCC, wB97XD/Def2-SVP, G = -681.081762 gas phase -681.050663 (PhI + CCCC = -681.003297) = +29.7

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10399
title: PhICCCC, wB97XD/Def2-SVP, bending to form cyclic species, TS, IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10398
title: PhICCCC, wB97XD/Def2-SVP, bending to form cyclic species, TS

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10400
title: PhICCCC, wB97XD/Def2-SVP, bending to form cyclic species, TS alt G = -681.014601

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10402
title: PhICCCC, wB97XD/Def2-SVP, bending to form cyclic species, TS alt IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9652
title: 1,2-Pyridinium-CC + Dihydroanthracene

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9701
title: Reactant, -Pyridinium-CC + Dihydroanthracene, G = -864.847012

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9722
title: 1,2-Pyridinium-CC + Dihydroanthracene TS G = -864.802515 DG = 27.9

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9853
title: 1,1-Pyridinium-CC + Dihydroanthracene, TS

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9889
title: PhIFCCSiMe3 iso G = -1867.736093 (Vs -1,867.623166 for fragmented components) 70.8 =&gt; 42.7

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9891
title: PhI G = -529.105803

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9893
title: PhIFCCSiMe3 iso2 G = -1867.704062

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10054
title: Py-CC 1,2-dimerisation, Def2-TZVPPD, G = -648.526431, gas phase -648.496991

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10055
title: Py-CC 1,2-dimerisation, Def2-TZVPPD, reactant, G = -324.286085, gas phase -648.5171

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10057
title: CC Def2-TZVPPD, reactant, gas phase, G = -75.878618

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9895
title: FSiMe3 G =-508.753822

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/9899
title: PhIFCCSiMe3 wB97XD/Def2-SVPP, SCRF=DCM G = -1113.762155 (-1,113.65002 for isolated components) DG = 42.3 kcal/mol

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10058
title: Py Def2-TZVPPD, reactant, G = -248.223423 gas phase

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10190
title: PhIC2, Def2-TZVPPD/SCRF=DCM, 1,1-substitution reaction G = -1210.701586

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10198
title: PhI G = -529.126316

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10199
title: CCCC G = -151.885000 (+ PhI = -681.011316), +44.0 kcal/mol.

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10200
title: PhICCCC, G = -681.081762

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10201
title: 2PhICC gas phase G = -1,210.058822

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10202
title: 2PhICC DCM -1,210.060394

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10203
title: CCCC G gas phase G = -151.880208

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10204
title: PhI gas phase G = -529.123089

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10206
title: CC CCSD(T)/Def2-TZVPPD SCRF=DCM G = -75.679918

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10207
title: CC wB97XD)/Def2-TZVPPD SCRF=DCM G = -75.791997

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10208
title: CCCC wB97XD/Def2-TZVPPD SCRF=DCM G = -151.886946 (-151.583994) -190.1 (-134.1 corrected by 2*28.0)

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10227
title: C4 bicyclo =&gt; linear TS

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10228
title: C4 bicyclo =&gt; linear IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10229
title: C4 bicyclo =&gt; linear, TS2 G = -151.847232

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10230
title: bicyclo C4 + OPh TS G = -458.312314

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10232
title: Bicyclo CCCC wB97XD/Def2-TZVPPD SCRF=DCM D2h

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10234
title: bicyclo C4 + OPh TS G = -458.312314 IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10235
title: bicyclo C4 + OPh TS2

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10236
title: C4 bicyclo to monocyclo, TS1 gas phase IRC (phase=1,4)

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10251
title: Bicyclo CCCC wB97XD/Def2-TZVPPD SCRF=DCM D2h triplet guess=alter 13 15 G = -151.816655 DG = 56.3/2 = 28.2

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10253
title: C4H2 ground state

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10352
title: C4 bicyclo =&gt; linear TS1 G = -151.864152 gas phase

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10231
title: C4 monocyclo &lt;=&gt; linear, TS2 IRC

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10337
title: Raw Experimental Data From Chapter 3

description: This file contains the raw data used in the interpretation of zeta potential measurements published in chapter 3 of the thesis.
DOI: 10.14469/hpc/10348
title: Streaming Potential Measurements of Crude Oils

description: This file contains the raw data obtained from streaming potential measurements on crude oil coated porous substrates presented in the thesis. The raw data along with the interpretation of the zeta potential are included.
DOI: 10.14469/hpc/11451
title: BOB cycle, 2,6-di-Me-Ph-B and benzoic acid, wB97XD, GS extra acid and two amine removed, C2-symmetry, G = -1681.606199 =&gt; -1585.781032 + -95.831441 = -1,681.612473

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11454
title: o-Cl-benzoic acid dimer, C2h wB97XD/Def2-TZVPP, G = -1760.772691

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11455
title: 1628 =&gt; BOB cycle, 2,6-di-OH-Ph-B and benzoic acid, TS4, wB97XD new position for acid G = -2341.969173

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11369
title: 1657 =&gt; BOB cycle, 2,6-di-iPr-Ph-B and benzoic acid, GS@b3lyp+GD3+BJ, extra acid and amine removed freq

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10803
title: Experimental Raw Data

description: Experimental raw data and fitted data
DOI: 10.14469/hpc/11370
title: 1605 =&gt; BOB cycle, 2,6-di-Me-Ph-B and benzoic acid, TS4 @b3lyp+GD3BJ, new position for acid, G = -2199.145186

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/11452
title: BOB cycle, 2,6-H-Ph-B and benzoic acid, GS@wB97XD, extra acid and two amine removed, C2-symmetry,

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/10809
title: Microbial and metabolic profiling in Ulcerative colitis

description: Raw data for 16S and metabolic profiling of serum, urine and faecal samples