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f | 1 | { | f | 1 | { |
2 | "author": "Ra\u00dfpe-Lange, Lukas", | 2 | "author": "Ra\u00dfpe-Lange, Lukas", | ||
3 | "author_email": "", | 3 | "author_email": "", | ||
4 | "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700", | 4 | "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700", | ||
5 | "doi": "10.22000/593", | 5 | "doi": "10.22000/593", | ||
6 | "doi_date_published": "2022", | 6 | "doi_date_published": "2022", | ||
7 | "doi_publisher": "", | 7 | "doi_publisher": "", | ||
8 | "doi_status": "True", | 8 | "doi_status": "True", | ||
9 | "extra_authors": [ | 9 | "extra_authors": [ | ||
10 | { | 10 | { | ||
11 | "extra_author": "Hoffmann, Alexander", | 11 | "extra_author": "Hoffmann, Alexander", | ||
12 | "orcid": "0000-0002-9647-8839" | 12 | "orcid": "0000-0002-9647-8839" | ||
13 | }, | 13 | }, | ||
14 | { | 14 | { | ||
15 | "extra_author": "Gertig, Christoph", | 15 | "extra_author": "Gertig, Christoph", | ||
16 | "orcid": "" | 16 | "orcid": "" | ||
17 | }, | 17 | }, | ||
18 | { | 18 | { | ||
19 | "extra_author": "Heck, Joshua", | 19 | "extra_author": "Heck, Joshua", | ||
20 | "orcid": "0000-0001-8895-1289" | 20 | "orcid": "0000-0001-8895-1289" | ||
21 | }, | 21 | }, | ||
22 | { | 22 | { | ||
23 | "extra_author": "Leonhard, Kai", | 23 | "extra_author": "Leonhard, Kai", | ||
24 | "orcid": "0000-0001-6231-6957" | 24 | "orcid": "0000-0001-6231-6957" | ||
25 | }, | 25 | }, | ||
26 | { | 26 | { | ||
27 | "extra_author": "Herres-Pawlis, Sonja", | 27 | "extra_author": "Herres-Pawlis, Sonja", | ||
28 | "orcid": "0000-0002-4354-4353" | 28 | "orcid": "0000-0002-4354-4353" | ||
29 | } | 29 | } | ||
30 | ], | 30 | ], | ||
31 | "groups": [], | 31 | "groups": [], | ||
32 | "id": "5516d37f-4786-4685-9545-4d6a9eebf55f", | 32 | "id": "5516d37f-4786-4685-9545-4d6a9eebf55f", | ||
33 | "isopen": false, | 33 | "isopen": false, | ||
34 | "license_id": "CC BY-NC-SA 4.0 | 34 | "license_id": "CC BY-NC-SA 4.0 | ||
35 | Attribution-NonCommercial-ShareAlike", | 35 | Attribution-NonCommercial-ShareAlike", | ||
36 | "license_title": "CC BY-NC-SA 4.0 | 36 | "license_title": "CC BY-NC-SA 4.0 | ||
37 | Attribution-NonCommercial-ShareAlike", | 37 | Attribution-NonCommercial-ShareAlike", | ||
38 | "metadata_created": "2023-01-12T13:30:43.015018", | 38 | "metadata_created": "2023-01-12T13:30:43.015018", | ||
n | 39 | "metadata_modified": "2023-01-12T13:30:43.015024", | n | 39 | "metadata_modified": "2023-08-04T08:49:29.784624", |
40 | "name": "rdr-doi-10-22000-593", | 40 | "name": "rdr-doi-10-22000-593", | ||
41 | "notes": "Object: Experimental and DFT optimised coordinates were | 41 | "notes": "Object: Experimental and DFT optimised coordinates were | ||
42 | deposited.", | 42 | deposited.", | ||
43 | "num_resources": 0, | 43 | "num_resources": 0, | ||
44 | "num_tags": 1, | 44 | "num_tags": 1, | ||
45 | "orcid": "", | 45 | "orcid": "", | ||
46 | "organization": { | 46 | "organization": { | ||
47 | "approval_status": "approved", | 47 | "approval_status": "approved", | ||
48 | "created": "2023-01-12T13:30:23.238233", | 48 | "created": "2023-01-12T13:30:23.238233", | ||
49 | "description": "RADAR (Research Data Repository) is a | 49 | "description": "RADAR (Research Data Repository) is a | ||
50 | cross-disciplinary repository for archiving and publishing research | 50 | cross-disciplinary repository for archiving and publishing research | ||
51 | data from completed scientific studies and projects. The focus is on | 51 | data from completed scientific studies and projects. The focus is on | ||
52 | research data from subjects that do not yet have their own | 52 | research data from subjects that do not yet have their own | ||
53 | discipline-specific infrastructures for research data management. ", | 53 | discipline-specific infrastructures for research data management. ", | ||
54 | "id": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | 54 | "id": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | ||
55 | "image_url": "radar-logo.svg", | 55 | "image_url": "radar-logo.svg", | ||
56 | "is_organization": true, | 56 | "is_organization": true, | ||
57 | "name": "radar", | 57 | "name": "radar", | ||
58 | "state": "active", | 58 | "state": "active", | ||
59 | "title": "RADAR", | 59 | "title": "RADAR", | ||
60 | "type": "organization" | 60 | "type": "organization" | ||
61 | }, | 61 | }, | ||
62 | "owner_org": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | 62 | "owner_org": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | ||
63 | "private": false, | 63 | "private": false, | ||
64 | "production_year": "2021-2022", | 64 | "production_year": "2021-2022", | ||
65 | "publication_year": "2022", | 65 | "publication_year": "2022", | ||
66 | "publishers": [ | 66 | "publishers": [ | ||
67 | { | 67 | { | ||
68 | "publisher": "RWTH Aachen University" | 68 | "publisher": "RWTH Aachen University" | ||
69 | } | 69 | } | ||
70 | ], | 70 | ], | ||
n | n | 71 | "related_identifiers": [ | ||
72 | { | ||||
73 | "identifier": "10.1002/jcc.26927", | ||||
74 | "identifier_type": "DOI", | ||||
75 | "relation_type": "IsSupplementTo" | ||||
76 | } | ||||
77 | ], | ||||
71 | "relationships_as_object": [], | 78 | "relationships_as_object": [], | ||
72 | "relationships_as_subject": [], | 79 | "relationships_as_subject": [], | ||
73 | "repository_name": "RADAR (Research Data Repository)", | 80 | "repository_name": "RADAR (Research Data Repository)", | ||
74 | "resource_type": "Dataset - Experimental and DFT optimised | 81 | "resource_type": "Dataset - Experimental and DFT optimised | ||
75 | coordinates", | 82 | coordinates", | ||
76 | "resources": [], | 83 | "resources": [], | ||
t | t | 84 | "services_used_list": "", | ||
77 | "source_metadata_created": "2022", | 85 | "source_metadata_created": "2022", | ||
78 | "source_metadata_modified": "", | 86 | "source_metadata_modified": "", | ||
79 | "state": "active", | 87 | "state": "active", | ||
80 | "subject_areas": [ | 88 | "subject_areas": [ | ||
81 | { | 89 | { | ||
82 | "subject_area_additional": "", | 90 | "subject_area_additional": "", | ||
83 | "subject_area_name": "Chemistry" | 91 | "subject_area_name": "Chemistry" | ||
84 | }, | 92 | }, | ||
85 | { | 93 | { | ||
86 | "subject_area_additional": "", | 94 | "subject_area_additional": "", | ||
87 | "subject_area_name": "Engineering" | 95 | "subject_area_name": "Engineering" | ||
88 | } | 96 | } | ||
89 | ], | 97 | ], | ||
90 | "tags": [ | 98 | "tags": [ | ||
91 | { | 99 | { | ||
92 | "display_name": "density functional theory", | 100 | "display_name": "density functional theory", | ||
93 | "id": "5f227a84-c1d5-416f-8186-d56912dce9c0", | 101 | "id": "5f227a84-c1d5-416f-8186-d56912dce9c0", | ||
94 | "name": "density functional theory", | 102 | "name": "density functional theory", | ||
95 | "state": "active", | 103 | "state": "active", | ||
96 | "vocabulary_id": null | 104 | "vocabulary_id": null | ||
97 | } | 105 | } | ||
98 | ], | 106 | ], | ||
99 | "title": "Experimental data and optimised coordinates to the | 107 | "title": "Experimental data and optimised coordinates to the | ||
100 | publication geometrical benchmarking and analysis of redox potentials | 108 | publication geometrical benchmarking and analysis of redox potentials | ||
101 | of copper(i/ii) guanidine-quinoline complexes: comparison of | 109 | of copper(i/ii) guanidine-quinoline complexes: comparison of | ||
102 | semi-empirical tight-binding and dft methods and the challenge of | 110 | semi-empirical tight-binding and dft methods and the challenge of | ||
103 | describing the entatic state (part iii)", | 111 | describing the entatic state (part iii)", | ||
104 | "type": "vdataset", | 112 | "type": "vdataset", | ||
105 | "url": "https://doi.org/10.22000/593" | 113 | "url": "https://doi.org/10.22000/593" | ||
106 | } | 114 | } |