cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8011824
title: In silico design, docking simulation, and ANN-QSAR model for predicting the anticoagulant activity of thiourea isosteviol compounds as FXa inhibitors

description: The present work combined molecular modeling and docking approach for searching and designing novel thiourea isosteviol-based compounds as potential FXa inhibitors. Elaborated regression model establishes the relationships between experimentally determined anticoagulant activity and molecular descriptors and enables the prediction of FXa inhibitory activity for novel compounds. The obtained results proved that the Artificial Neural Network algorithm facilitates the search for the most promising isosteviol derivatives incorporating thiourea fragments as FXa inhibitors. Moreover, docking simulation confirms the prominent binding of the newly in silico designed molecules with the active sites of the protein, which may be the lead molecules and can be further optimized for the efficient pharmacodynamic and pharmacokinetic profiles. The enclosed files are representations of molecular structures of thiourea isosteviol compounds with experimentally tested FXa inhibitory activity (i20-i39) geometrically optimized in hyperchem, newly in silico designed thiourea isosteviol compounds geometrically optimized in hyperchem (e1-e11), one file contains molecular descriptors for optimized structures calculated in Dragon and there is also a code for ANN QSAR model for predicting activity of novel thiourea isosteviol compounds.
DOI: 10.6084/m9.figshare.23304188
title: Cosmonaut_Sea_free_air_gravity

description: Free-air gravity anomaly of Cosmonaut Sea
DOI: 10.6084/m9.figshare.22580986
title: Student-teachers interviews 1.docx

description: In this archive, there are the transcripts of the three interviews that student-teacher gave at the end of the teaching practicum.
DOI: 10.5519/qd.x3jur2i1
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (11 records)
DOI: 10.5281/zenodo.7886323
title: Dataset for "A computational fluid dynamics—Population balance equation approach for evaporating cough droplets transport"

description: Dataset for figures and tables of the article "A computational fluid dynamics—Population balance equation approach for evaporating cough droplets transport" submitted to "International Journal of Multiphase Flow".
DOI: 10.5281/zenodo.7886322
title: Dataset for "A computational fluid dynamics—Population balance equation approach for evaporating cough droplets transport"

description: Dataset for figures and tables of the article "A computational fluid dynamics—Population balance equation approach for evaporating cough droplets transport" submitted to "International Journal of Multiphase Flow".
DOI: 10.34740/kaggle/dsv/5583514
title: COVID Vaccination in World (updated daily)
DOI: 10.22008/fk2/uwdtbh
title: Geologisk kort over Grønland, 1:100 000, Lindenow Fjord 60 Ø.1 Nord

description: Geologisk kort over Grønland / Geological map of Greenland - 1:100 000, South-East Greenland, Lindenow Fjord
DOI: 10.22008/fk2/uwdtbh/q0yfnf
title: G100_Lindenow_Fjord_60Ø1_N_400dpi.tif
DOI: 10.22008/fk2/uwdtbh/zc73xb
title: G100_Lindenow_Fjord_60Ø1_N_400dpi.pdf
DOI: 10.5281/zenodo.7886359
title: Automated control and optimization of laser-driven ion acceleration: Data

description: This data repository contains python scripts that can recreate the plots from the article on 'Automated control and optimization of laser-driven ion acceleration'.
description: We acknowledge support from: UK STFC, XFEL Physical Sciences Hub, UK EPSRC, U.S. DOE , the National Science Foundation, M.J.V.S. acknowledges support from the Royal Society URF-R1221874. G.D.G. acknowledges support from the DOE NNSA SSGF program DE-NA0003960. A.G.R.T acknowledges the US DOE grant DE-SC0016804. D.M.acknowledges support from the European Regional Development Fund (ADONIS).
DOI: 10.5281/zenodo.7886358
title: Automated control and optimization of laser-driven ion acceleration: Data

description: This data repository contains python scripts that can recreate the plots from the article on 'Automated control and optimization of laser-driven ion acceleration'.
description: We acknowledge support from: UK STFC, XFEL Physical Sciences Hub, UK EPSRC, U.S. DOE , the National Science Foundation, M.J.V.S. acknowledges support from the Royal Society URF-R1221874. G.D.G. acknowledges support from the DOE NNSA SSGF program DE-NA0003960. A.G.R.T acknowledges the US DOE grant DE-SC0016804. D.M.acknowledges support from the European Regional Development Fund (ADONIS).
DOI: 10.6084/m9.figshare.21866181
title: 1H and 13C NMR spectra, Synthesis of merocyanine MCH-para

description: 1H and 13C NMR spectra, Synthesis of merocyanine MCH-para
DOI: 10.6084/m9.figshare.21866181.v1
title: 1H and 13C NMR spectra, Synthesis of merocyanine MCH-para

description: 1H and 13C NMR spectra, Synthesis of merocyanine MCH-para
DOI: 10.6084/m9.figshare.19811854
title: Global_1981-2021_4km_Improved_VHI_Index_and_Best_Contribution_Parameter

description: A global high-spatial-resolution annual improved VHI raster dataset for 1981-2021 were developed by combining meteorological, vegetation, and soil moisture information, , which significantly improved vegetation drought detection efficiency. It has a spatial resolution of 4km, a temporal resolution of 1-year. All data are in Geotiff format.Our drought datasets serve as a unique resource providing solutions to a variety of research communities including meteorology, geography, natural hazards and agricultural production study. The developed annual VHIopt dataset is free, open and persistent publicly available from this study.
DOI: 10.6084/m9.figshare.19811854.v4
title: Global_1981-2021_4km_Improved_VHI_Index_and_Best_Contribution_Parameter

description: A global high-spatial-resolution annual improved VHI raster dataset for 1981-2021 were developed by combining meteorological, vegetation, and soil moisture information, , which significantly improved vegetation drought detection efficiency. It has a spatial resolution of 4km, a temporal resolution of 1-year. All data are in Geotiff format.Our drought datasets serve as a unique resource providing solutions to a variety of research communities including meteorology, geography, natural hazards and agricultural production study. The developed annual VHIopt dataset is free, open and persistent publicly available from this study.
DOI: 10.5067/bqnlai3unhw6
title: IMERG and LHASA Global Landslide Exposure Maps
DOI: 10.5281/zenodo.3707811
title: Result data related to "Tröndle (2020) -- Supply-side options to reduce land requirements of fully renewable electricity in Europe"

description: The dataset contains the optimisation model and aggregated result data of my study. See `README.md` for more information. If you use this data in an academic publication, please cite the following article: Tröndle, T. (2020). Supply-side options to reduce land requirements of fully renewable electricity in Europe. PLOS ONE.
DOI: 10.5281/zenodo.3707812
title: Result data related to "Tröndle (2020) -- Supply-side options to reduce land requirements of fully renewable electricity in Europe"

description: The dataset contains the optimisation model and aggregated result data of my study. See `README.md` for more information. If you use this data in an academic publication, please cite the following article: Tröndle, T. (2020). Supply-side options to reduce land requirements of fully renewable electricity in Europe. PLOS ONE.
DOI: 10.6084/m9.figshare.22731809
title: Finding presence during a pandemic – a qualitative analysis of participation in an Irish University online mindfulness practice during the COVID-19 emergency. Themes and Subthemes with supportive quotations.docx

description: In response to the change and distress that many faced during the time of the COVID-19 pandemic, a twice weekly online practice of mindfulness meditation was delivered to staff, students and the wider community outside of the University of Galway, Ireland. This study examined the effect of the offered regular online practice of mindfulness meditation for participants during the COVID emergency, exploring through qualitative analysis of their own lived experience with this intervention. This data set hold shows the themes and the subthemes from the qualitative responses. All data is anonymised.
DOI: 10.6084/m9.figshare.22731809.v1
title: Finding presence during a pandemic – a qualitative analysis of participation in an Irish University online mindfulness practice during the COVID-19 emergency. Themes and Subthemes with supportive quotations.docx

description: In response to the change and distress that many faced during the time of the COVID-19 pandemic, a twice weekly online practice of mindfulness meditation was delivered to staff, students and the wider community outside of the University of Galway, Ireland. This study examined the effect of the offered regular online practice of mindfulness meditation for participants during the COVID emergency, exploring through qualitative analysis of their own lived experience with this intervention. This data set hold shows the themes and the subthemes from the qualitative responses. All data is anonymised.
DOI: 10.5281/zenodo.3950309
title: Result data related to "Tröndle et al (2020) -- Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe"

description: The dataset contains aggregated result data of our study. See `README.md` for more information.
DOI: 10.5281/zenodo.3950345
title: Result data related to "Tröndle et al (2020) -- Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe"

description: The dataset contains aggregated result data of our study. See `README.md` for more information. CHANGELOG: Version 1.1 (2020-07-17) * Remove macOS resource forks cluttering the zip file.
DOI: 10.5281/zenodo.3950308
title: Result data related to "Tröndle et al (2020) -- Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe"

description: The dataset contains aggregated result data of our study. See `README.md` for more information. If you use this data in an academic publication, please cite the following article: Tröndle, T., Lilliestam, J., Marelli, S., Pfenninger, S., 2020. Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe. Joule. CHANGELOG: Version 1.2 (2020-09-28) * Add location name to scenario results.<br> * Add scenario results in CSV format, next to already existing NetCDF format.<br> * Remove capacity factors from scenario results. Version 1.1 (2020-07-17) * Remove macOS resource forks cluttering the zip file.
DOI: 10.5281/zenodo.4055622
title: Result data related to "Tröndle et al (2020) -- Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe"

description: The dataset contains aggregated result data of our study. See `README.md` for more information. If you use this data in an academic publication, please cite the following article: Tröndle, T., Lilliestam, J., Marelli, S., Pfenninger, S., 2020. Trade-offs between geographic scale, cost, and infrastructure requirements for fully renewable electricity in Europe. Joule. CHANGELOG: Version 1.2 (2020-09-28) * Add location name to scenario results.<br> * Add scenario results in CSV format, next to already existing NetCDF format.<br> * Remove capacity factors from scenario results. Version 1.1 (2020-07-17) * Remove macOS resource forks cluttering the zip file.
DOI: 10.25318/2010008101-eng
title: Historical (real-time) releases of monthly retail trade, sales

description: Historical releases of retail trade sales, available for all members under release and adjustment dimensions, for Canada, provinces and territories, available on a monthly basis in dollars x 1,000.
DOI: 10.25318/2010008101-fra
title: Diffusions historiques (temps réel) du commerce de détail mensuel, ventes

description: Diffusions historiques des ventes du commerce de détail, disponibles pour tous les membres sous les dimensions diffusion et ajustements, pour Canada, provinces et territoires, disponibles mensuellement en dollars x 1 000.
DOI: 10.25318/2010008201-eng
title: Historical (real-time) releases of monthly retail sales, price, and volume

description: Historical (real-time) releases of retail sales, price, and volume, available for all members under North American Industry Classification System (NAICS) dimension, for Canada, available on a monthly basis, seasonally adjusted, in dollars x 1,000,000.
DOI: 10.25318/2010008201-fra
title: Diffusions historiques (temps réel) des ventes au détail mensuelles, prix et volume

description: Diffusions historiques (temps réel) des ventes au détail, prix et volume, pour tous les membres sous les dimensions diffusion, Système de classification des industries de l'Amérique du Nord (SCIAN) et ajustements, pour Canada, disponibles mensuellement en dollars X 1 000 000.
DOI: 10.25625/zwkpmd/rbvtwq
title: CM2.pse

description: :unav
DOI: 10.25625/zwkpmd/rur3yw
title: AP.chg

description: :unav
DOI: 10.25625/zwkpmd/lugf3z
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/ccmwc2
title: AP.chg

description: :unav
DOI: 10.25625/zwkpmd/hrckn6
title: h2o2.log

description: :unav
DOI: 10.25625/zwkpmd/qv9tts
title: carbene.log

description: :unav
DOI: 10.25625/zwkpmd/9acc9e
title: iphh.xyz

description: :unav
DOI: 10.25625/zwkpmd/ildcie
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/3htv5r
title: trimethylamine.log

description: :unav
DOI: 10.25625/zwkpmd/coltff
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/rcvtnt
title: opt_wat.xyz

description: :unav
DOI: 10.5281/zenodo.3752075
title: IODP Expedition 362 Micropaleontology

description: Paleontological data were collected using microscopes and recorded in the JRSO description software. All data for a species group (e.g., diatoms or nannofossils) were collected in a Microsoft Excel worksheet by hole. A zip file of the entire expedition's observations is also available.
DOI: 10.25625/zwkpmd/gpny8e
title: carbene.log

description: :unav
DOI: 10.5281/zenodo.3752074
title: IODP Expedition 362 Micropaleontology

description: Paleontological data were collected using microscopes and recorded in the JRSO description software. All data for a species group (e.g., diatoms or nannofossils) were collected in a Microsoft Excel worksheet by hole. A zip file of the entire expedition's observations is also available.
DOI: 10.5281/zenodo.7886588
title: IODP Expedition 362 Micropaleontology

description: Paleontological data were collected using microscopes and recorded in the JRSO description software. All data for a species group (e.g., diatoms or nannofossils) were collected in a Microsoft Excel worksheet by hole. A zip file of the entire expedition's observations is also available.
DOI: 10.25625/zwkpmd/ra1qnd
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/scm7sa
title: formic.log

description: :unav
DOI: 10.25625/zwkpmd/jktq0q
title: base.log

description: :unav
DOI: 10.25625/zwkpmd/e5htq2
title: ap.log

description: :unav
DOI: 10.25625/zwkpmd/r0assh
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/6ixqum
title: carbene.log

description: :unav
DOI: 10.25625/zwkpmd/roikvc
title: aniline.log

description: :unav
DOI: 10.25625/zwkpmd/ephdys
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/uanlt6
title: cm2.xyz

description: :unav
DOI: 10.25625/zwkpmd/vnwaos
title: ch.log

description: :unav
DOI: 10.25625/zwkpmd/hiqpvj
title: 1prot.log

description: :unav
DOI: 10.25625/zwkpmd/nldov3
title: opt.xyz

description: :unav
DOI: 10.25625/zwkpmd/q0ey5r
title: acid.log

description: :unav
DOI: 10.25625/zwkpmd/kztziy
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/m5q1ii
title: 1prot.log

description: :unav
DOI: 10.25625/zwkpmd/lidwan
title: ap.chg

description: :unav
DOI: 10.25625/zwkpmd/tqop0c
title: aph.log

description: :unav
DOI: 10.25625/zwkpmd/blwss1
title: wat.log

description: :unav
DOI: 10.25625/zwkpmd/v1gtvx
title: calc_0.log

description: :unav
DOI: 10.25625/zwkpmd/72hmni
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/sghgox
title: ap.log

description: :unav
DOI: 10.25625/zwkpmd/rcv005
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/rt2jrq
title: LIDI.txt

description: :unav
DOI: 10.25625/zwkpmd/zqobaf
title: LIDI.txt

description: :unav
DOI: 10.25625/zwkpmd/tf8lel
title: base.log

description: :unav
DOI: 10.25625/zwkpmd/nbon19
title: ap.log

description: :unav
DOI: 10.25625/zwkpmd/4ja0ga
title: aph.log

description: :unav
DOI: 10.25625/zwkpmd/yymuyf
title: ap.log

description: :unav
DOI: 10.25625/zwkpmd/qurv0z
title: prod.chg

description: :unav
DOI: 10.25625/zwkpmd/p0mmim
title: tda.log

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DOI: 10.25625/zwkpmd/4x1q9m
title: wat.log

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DOI: 10.25625/zwkpmd/cjzecz
title: base.log

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DOI: 10.25625/zwkpmd/vajeo7
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/wmqvse
title: tda.log

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DOI: 10.25625/zwkpmd/gnym5q
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/ly7mez
title: formic.log

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DOI: 10.25625/zwkpmd/ptyxdr
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/lqpsxd
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/lau2wl
title: acetate.log

description: :unav
DOI: 10.25625/zwkpmd/pib13v
title: tda.log

description: :unav
DOI: 10.25625/zwkpmd/wb5bxz
title: tda.log

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DOI: 10.25625/zwkpmd/on1m4m
title: tda.log

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DOI: 10.25625/zwkpmd/j7lhh0
title: ch.log

description: :unav
DOI: 10.25625/zwkpmd/0swxnq
title: carbene.log

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DOI: 10.25625/zwkpmd/nkgclh
title: ap.xyz

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DOI: 10.25625/zwkpmd/bckmey
title: carbene.log

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DOI: 10.25625/zwkpmd/bkqycz
title: ch.log

description: :unav
DOI: 10.25625/zwkpmd/cdh7ma
title: aph.chg

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DOI: 10.25625/zwkpmd/rko1ii
title: tda.log

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DOI: 10.25625/zwkpmd/uaqr8y
title: tda.log

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DOI: 10.25625/zwkpmd/kibqwq
title: tda.log

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DOI: 10.25625/zwkpmd/kr143g
title: ch.log

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DOI: 10.25625/zwkpmd/bzu3zo
title: phenol.log

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DOI: 10.25625/zwkpmd/j2l4ei
title: tda.log

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DOI: 10.25625/zwkpmd/ycl0c9
title: wat.log

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DOI: 10.25625/zwkpmd/xnnmxg
title: opt.xyz

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DOI: 10.25625/zwkpmd/tyqsps
title: tda.log

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DOI: 10.25625/zwkpmd/dpau9f
title: ap.chg

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DOI: 10.25625/zwkpmd/laios1
title: tda.log

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DOI: 10.25625/zwkpmd/mpcajc
title: tda.log

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DOI: 10.25625/zwkpmd/p7phol
title: opt.xyz

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DOI: 10.25625/zwkpmd/lkytf7
title: 1prot.log

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DOI: 10.25625/zwkpmd/xzushx
title: aph.chg

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DOI: 10.25625/zwkpmd/h4up5z
title: tda.log

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DOI: 10.25625/zwkpmd/bi2gho
title: calc_0.log

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DOI: 10.25625/zwkpmd/aofmim
title: AP.xyz

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DOI: 10.25625/zwkpmd/tumrng
title: ch.log

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DOI: 10.25625/zwkpmd/hsiboe
title: base.log

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DOI: 10.25625/zwkpmd/a8cu4g
title: tda.log

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DOI: 10.25625/zwkpmd/9vriaq
title: ap.chg

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DOI: 10.25625/zwkpmd/edgo8e
title: calc_0.log

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DOI: 10.25625/zwkpmd/fvftxl
title: IPm.log

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DOI: 10.25625/zwkpmd/oo1ihn
title: ho2.log

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DOI: 10.25625/zwkpmd/vnuqut
title: ap.log

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DOI: 10.25625/zwkpmd/by1n7o
title: acid.log

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DOI: 10.25625/zwkpmd/n52aay
title: tda.log

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DOI: 10.25625/zwkpmd/ez6upw
title: opt.xyz

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DOI: 10.25625/zwkpmd/2ilccw
title: tda.log

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DOI: 10.25625/zwkpmd/ynnsgf
title: orotate.log

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DOI: 10.25625/zwkpmd/93nr6j
title: ap.chg

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DOI: 10.25625/zwkpmd/o9l9fo
title: tda.log

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DOI: 10.25625/zwkpmd/wfpb3g
title: AP.log

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DOI: 10.25625/zwkpmd/bzjhjo
title: tda.log

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DOI: 10.25625/zwkpmd/ayt4bv
title: ap.log

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DOI: 10.25625/zwkpmd/wchuh1
title: acid.log

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DOI: 10.25625/zwkpmd/gzmb4q
title: carbene.log

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DOI: 10.25625/zwkpmd/swghpn
title: aph.log

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DOI: 10.25625/zwkpmd/owpec4
title: tda.log

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DOI: 10.25625/zwkpmd/spnedi
title: acid.log

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DOI: 10.25625/zwkpmd/tjykq4
title: acetate.log

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DOI: 10.25625/zwkpmd/vb4ghs
title: base.log

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DOI: 10.25625/zwkpmd/nib50u
title: acid.log

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DOI: 10.25625/zwkpmd/nmyyit
title: LIDI.txt

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DOI: 10.25625/zwkpmd/f5r1pt
title: tda.log

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DOI: 10.25625/zwkpmd/p0ccxm
title: ap.log

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DOI: 10.25625/zwkpmd/brt4hh
title: carbene.log

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DOI: 10.25625/zwkpmd/tnljar
title: AP.log

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DOI: 10.25625/zwkpmd/lhug0z
title: wat.log

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DOI: 10.25625/zwkpmd/zuhrkf
title: phenol.log

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DOI: 10.25625/zwkpmd/q2zdzy
title: carbene.log

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DOI: 10.25625/zwkpmd/gvql0e
title: tda.log

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DOI: 10.25625/zwkpmd/fij4fk
title: tda.log

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DOI: 10.25625/zwkpmd/ivmfvc
title: trimethylamine.log

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DOI: 10.25625/zwkpmd/yzvxwj
title: tda.log

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DOI: 10.25625/zwkpmd/1dzwqs
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DOI: 10.25625/zwkpmd/0bmm22
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DOI: 10.25625/zwkpmd/eutr0w
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DOI: 10.25625/zwkpmd/dfqawf
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DOI: 10.25625/zwkpmd/ejzxno
title: carbene.log

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DOI: 10.25625/zwkpmd/dcddpy
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DOI: 10.25625/zwkpmd/hlguvx
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DOI: 10.25625/zwkpmd/hog8yg
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DOI: 10.25625/zwkpmd/jsttnl
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DOI: 10.25625/zwkpmd/bcyvpg
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DOI: 10.25625/zwkpmd/npmban
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DOI: 10.25625/zwkpmd/d2chqz
title: acid.log

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DOI: 10.25625/zwkpmd/udjnkl
title: LIDI.txt

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DOI: 10.25625/zwkpmd/gjnse6
title: tda.log

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DOI: 10.25625/zwkpmd/sqhpl1
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DOI: 10.25625/zwkpmd/qqsgvp
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DOI: 10.25625/zwkpmd/txmb6c
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DOI: 10.25625/zwkpmd/bqvtxz
title: aniline.log

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DOI: 10.25625/zwkpmd/qeo5eg
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DOI: 10.25625/zwkpmd/rp56qg
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DOI: 10.25625/zwkpmd/zvog16
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DOI: 10.25625/zwkpmd/b92jah
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DOI: 10.25625/zwkpmd/alqz70
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DOI: 10.25625/zwkpmd/i5u2wv
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DOI: 10.25625/zwkpmd/575fov
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DOI: 10.25625/zwkpmd/rundmb
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DOI: 10.25625/zwkpmd/naqdy7
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DOI: 10.25625/zwkpmd/jgafrd
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DOI: 10.25625/zwkpmd/zrclil
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DOI: 10.25625/zwkpmd/mdtogc
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DOI: 10.25625/zwkpmd/rexvce
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DOI: 10.25625/zwkpmd/bktozn
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DOI: 10.25625/zwkpmd/gu2y50
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DOI: 10.25625/zwkpmd/imx65a
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DOI: 10.25625/zwkpmd/ffe4gw
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DOI: 10.25625/zwkpmd/r1t3kg
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DOI: 10.25625/zwkpmd/s1kyyz
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DOI: 10.25625/zwkpmd/4unguk
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DOI: 10.25625/zwkpmd/fp29me
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DOI: 10.25625/zwkpmd/evnw1q
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DOI: 10.25625/zwkpmd/pqcpek
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