cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.p8necp
title: Occurrence Download

description: A dataset containing 12 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Astragalus kronenburgii B.Fedtsch. ex Kneuck."
 ]
}

 The dataset includes 12 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033042-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/independent-c69-3989
title: The Knapp Commission report on police violence, 1972 [26 pp. only]

description: 26 pages from: Commission to Investigate Allegations of Police Corruption and the City's Anti-Corruption Procedures. The Knapp Commission report on police violence. New York, New York: George Braziller, 1972. PART OF A SERIES: The series consists of miscellaneous source materials that were collected and analyzed over the course of the Independent Commission's investigation. Included are the following: article clippings pertaining to the Rodney King incident; legal materials related to the Gates v. Board of Los Angeles Police Commissioners case, including appellate documents, court transcripts, preliminary injunctions, and briefs; black-and-white photographs; essays and articles related to police misconduct; issues of The Thin Blue Line, the Los Angeles Police Protective League's monthly publication, and Perspectives on Policing, a newsletter published by the United States Department of Justice; materials regarding policing issues in other major United States cities, including commission reports and Pate and Hamilton's book The Big Six: Policing America's Largest Cities; supplemental materials and appendices to the Independent Commission's report; requests for copies of the Commission report; transcripts from public hearings conducted by members of the Commission; and instructional materials related to the Video Incident Capture System, a video camera system that provides video and audio records of police officers' activities while on patrol.
DOI: 10.25549/independent-c69-3997
title: The Knapp Commission report on police violence, 1972 [26 pp. only]

description: 26 pages from: Commission to Investigate Allegations of Police Corruption and the City's Anti-Corruption Procedures. The Knapp Commission report on police violence. New York, New York: George Braziller, 1972. PART OF A SERIES: The series consists of miscellaneous source materials that were collected and analyzed over the course of the Independent Commission's investigation. Included are the following: article clippings pertaining to the Rodney King incident; legal materials related to the Gates v. Board of Los Angeles Police Commissioners case, including appellate documents, court transcripts, preliminary injunctions, and briefs; black-and-white photographs; essays and articles related to police misconduct; issues of The Thin Blue Line, the Los Angeles Police Protective League's monthly publication, and Perspectives on Policing, a newsletter published by the United States Department of Justice; materials regarding policing issues in other major United States cities, including commission reports and Pate and Hamilton's book The Big Six: Policing America's Largest Cities; supplemental materials and appendices to the Independent Commission's report; requests for copies of the Commission report; transcripts from public hearings conducted by members of the Commission; and instructional materials related to the Video Incident Capture System, a video camera system that provides video and audio records of police officers' activities while on patrol.
DOI: 10.15468/dl.g7zqnr
title: Occurrence Download

description: A dataset containing 68781 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Solanaceae",
 "Year 2023-2023"
 ]
}

 The dataset includes 68781 records from 103 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005860-230918134249559/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.beos3f
title: Occurrence Download

description: A dataset containing 628 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Quercus falcata Michx.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 628 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002232-171002173027117/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/independent-c69-4056
title: indep-box07-13-02
DOI: 10.15468/dl.kq973f
title: Occurrence Download

description: A dataset containing 20 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-89.8929 21.19904,-89.74784 21.23797,-89.7677 21.28136,-89.7712 21.28902,-89.8582 21.2698,-89.88117 21.2698,-89.90732 21.26739,-89.91741 21.23797,-89.8929 21.19904))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Harengula jaguana Poey, 1865"
 ]
}

 The dataset includes 20 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005859-230918134249559/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/independent-c69-38897
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.5281/zenodo.10529637
title: DFT Calculated xyz and log Files as well as csv Files for Machine Learning in Support of "Tailoring Phosphine Ligands for Improved C H Activation: Insights from Δ-Machine Learning"

description: Transition metal complexes have played crucial roles in various homogeneous catalytic processes due to their exceptional versatility. This adaptability stems not only from the central metal ions but also from the vast array of choices of the ligand spheres, which form an enormously large chemical space. For example, Rh complexes, with a well-designed ligand sphere, are known to be efficient in catalyzing the C-H activation process in alkanes. To investigate the structure-property relation of the Rh complex and identify the optimal ligand that minimizes the calculated reaction energy ΔE of an alkane C-H activation, we have applied a Δ-Machine Learning method trained on various features to study 1,743 pairs of reactants (Rh(PLP)(Cl)(CO)) and intermediates (Rh(PLP)(Cl)(CO)(H)(propyl)). Our findings demonstrate that the models exhibit robust predictive performance when trained on features derived from electron density (R2 = 0.816), and SOAPs (R2 = 0.819), a set of position-based descriptors. Leveraging the model trained on xTB-SOAPs that only depend on the xTB-equilibrium structures, we propose an efficient and accurate screening procedure to explore the extensive chemical space of bisphosphine ligands. By applying this screening procedure, we identify ten newly selected reactant-intermediate pairs with an average ΔE of 33.2 kJ mol-1, remarkably lower than the average ΔE of the original data set of 68.0 kJ mol-1. This underscores the efficacy of our screening procedure in pinpointing structures with significantly lower energy levels.

_______________________________________________________________________

The dataset contains three file types:



xyz files of the final optimized Rh-phosphine complexes; one set for the starting materials denoted as "molecule-XXXX_4-times" and one set for the intermediates after C-H activation denoted as "molecule-XXXX_6-times"

Gaussian16 log files for the optimization process; one set for the starting materials denoted as "molecule-XXXX_4-times" and one set for the intermediates after C-H activation denoted as "molecule-XXXX_6-times"

csv files containing the per molecule features used for training the different machine learning models. The name of the csv files indicates which property was predicted and which model was used
DOI: 10.25549/independent-c69-39071
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.5281/zenodo.10529636
title: DFT Calculated xyz and log Files as well as csv Files for Machine Learning in Support of "Tailoring Phosphine Ligands for Improved C H Activation: Insights from Δ-Machine Learning"

description: Transition metal complexes have played crucial roles in various homogeneous catalytic processes due to their exceptional versatility. This adaptability stems not only from the central metal ions but also from the vast array of choices of the ligand spheres, which form an enormously large chemical space. For example, Rh complexes, with a well-designed ligand sphere, are known to be efficient in catalyzing the C-H activation process in alkanes. To investigate the structure-property relation of the Rh complex and identify the optimal ligand that minimizes the calculated reaction energy ΔE of an alkane C-H activation, we have applied a Δ-Machine Learning method trained on various features to study 1,743 pairs of reactants (Rh(PLP)(Cl)(CO)) and intermediates (Rh(PLP)(Cl)(CO)(H)(propyl)). Our findings demonstrate that the models exhibit robust predictive performance when trained on features derived from electron density (R2 = 0.816), and SOAPs (R2 = 0.819), a set of position-based descriptors. Leveraging the model trained on xTB-SOAPs that only depend on the xTB-equilibrium structures, we propose an efficient and accurate screening procedure to explore the extensive chemical space of bisphosphine ligands. By applying this screening procedure, we identify ten newly selected reactant-intermediate pairs with an average ΔE of 33.2 kJ mol-1, remarkably lower than the average ΔE of the original data set of 68.0 kJ mol-1. This underscores the efficacy of our screening procedure in pinpointing structures with significantly lower energy levels.

_______________________________________________________________________

The dataset contains three file types:

Version 1.0:



xyz files of the final optimized Rh-phosphine complexes; one set for the starting materials denoted as "molecule-XXXX_4-times" and one set for the intermediates after C-H activation denoted as "molecule-XXXX_6-times"

Gaussian16 log files for the optimization process; one set for the starting materials denoted as "molecule-XXXX_4-times" and one set for the intermediates after C-H activation denoted as "molecule-XXXX_6-times"

csv files containing the per molecule features used for training the different machine learning models. The name of the csv files indicates which property was predicted and which model was used


New in version 1.1 (other data is unchanged):



Gaussian16 log files for the ten newly identified bisphosphine ligands; one set for the product material denoted as "LXX_6-times-axial" and one set for the transition state for the C-H activation denoted as "LXX_C-H-activation_TS"
DOI: 10.5281/zenodo.11109592
title: DFT Calculated xyz and log Files as well as csv Files for Machine Learning in Support of "Tailoring Phosphine Ligands for Improved C H Activation: Insights from Δ-Machine Learning"

description: Transition metal complexes have played crucial roles in various homogeneous catalytic processes due to their exceptional versatility. This adaptability stems not only from the central metal ions but also from the vast array of choices of the ligand spheres, which form an enormously large chemical space. For example, Rh complexes, with a well-designed ligand sphere, are known to be efficient in catalyzing the C-H activation process in alkanes. To investigate the structure-property relation of the Rh complex and identify the optimal ligand that minimizes the calculated reaction energy ΔE of an alkane C-H activation, we have applied a Δ-Machine Learning method trained on various features to study 1,743 pairs of reactants (Rh(PLP)(Cl)(CO)) and intermediates (Rh(PLP)(Cl)(CO)(H)(propyl)). Our findings demonstrate that the models exhibit robust predictive performance when trained on features derived from electron density (R2 = 0.816), and SOAPs (R2 = 0.819), a set of position-based descriptors. Leveraging the model trained on xTB-SOAPs that only depend on the xTB-equilibrium structures, we propose an efficient and accurate screening procedure to explore the extensive chemical space of bisphosphine ligands. By applying this screening procedure, we identify ten newly selected reactant-intermediate pairs with an average ΔE of 33.2 kJ mol-1, remarkably lower than the average ΔE of the original data set of 68.0 kJ mol-1. This underscores the efficacy of our screening procedure in pinpointing structures with significantly lower energy levels.

_______________________________________________________________________

The dataset contains three file types:

Version 1.0:



xyz files of the final optimized Rh-phosphine complexes; one set for the starting materials denoted as "molecule-XXXX_4-times" and one set for the intermediates after C-H activation denoted as "molecule-XXXX_6-times"

Gaussian16 log files for the optimization process; one set for the starting materials denoted as "molecule-XXXX_4-times" and one set for the intermediates after C-H activation denoted as "molecule-XXXX_6-times"

csv files containing the per molecule features used for training the different machine learning models. The name of the csv files indicates which property was predicted and which model was used


New in version 1.1 (other data is unchanged):



Gaussian16 log files for the ten newly identified bisphosphine ligands; one set for the product material denoted as "LXX_6-times-axial" and one set for the transition state for the C-H activation denoted as "LXX_C-H-activation_TS"
DOI: 10.25549/independent-c69-38998
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-38905
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-38976
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-38967
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-42474
title: Claims (GX 14638 - GX 15135), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-36680
title: Claims (GX 15136 - GX 15571), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-42506
title: Claims (GX 14638 - GX 15135), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-42520
title: Claims (GX 14638 - GX 15135), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-42604
title: Claims (GX 14638 - GX 15135), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-38972
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.
DOI: 10.25549/independent-c69-38996
title: Claims (GX 15907 - GX 16282), 1988

description: Collection of claims filed against the LAPD with regards ranging from wrongful death to violation of civil rights, etc., 1988. PART OF A SERIES: The series includes materials related to the work product of Price Waterhouse, whose staff investigated citizen complaints and civil litigation claims involving the LAPD. Included are claims reports, claims analyses, card files, and arbitration reports; summaries of 83 selected civil litigation cases; materials from the personnel files of LAPD officers named in these cases, as well as documents listing their subsequent penalties; and statistics that break complaints down according to a variety of criteria, including race, gender, and police division.