-
Notifications
You must be signed in to change notification settings - Fork 44
/
Copy pathCITATION.cff
103 lines (103 loc) · 3.31 KB
/
CITATION.cff
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Pracht"
given-names: "Philipp"
orcid: "https://orcid.org/0000-0002-8495-9504"
- family-names: "Grimme"
given-names: "Stefan"
orcid: "https://orcid.org/0000-0002-5844-4371"
- family-names: "Bannwarth"
given-names: "Christoph"
orcid: "https://orcid.org/0000-0003-3242-496X"
- family-names: "Bohle"
given-names: "Fabian"
orcid: "https://orcid.org/0000-0003-2621-6339"
- family-names: "Ehlert"
given-names: "Sebastian"
orcid: "https://orcid.org/0000-0001-7809-771X"
- family-names: "Feldmann"
given-names: "Gereon"
orcid: "https://orcid.org/0009-0009-1466-4610"
- family-names: "Gorges"
given-names: "Johannes"
orcid: "https://orcid.org/0000-0002-9309-0193"
- family-names: "Müller"
given-names: "Marcel"
orcid: "https://orcid.org/0000-0002-5398-4192"
- family-names: "Neudecker"
given-names: "Tim"
orcid: "https://orcid.org/0000-0001-7599-3578"
- family-names: "Plett"
given-names: "Christoph"
orcid: "https://orcid.org/0000-0002-3911-2478"
- family-names: "Spicher"
given-names: "Sebastian"
orcid: "https://orcid.org/0000-0001-6541-3680"
- family-names: "Steinbach"
given-names: "Pit"
orcid: "https://orcid.org/0000-0001-7437-242X"
- family-names: "Wesołowski"
given-names: "Patryk Adam"
orcid: "https://orcid.org/0000-0002-7751-980X"
- family-names: "Zeller"
given-names: "Felix"
orcid: "https://orcid.org/0000-0001-9140-8359"
title: "CREST - Conformer-Rotamer Sampling Tool"
version: 3.0
doi: 10.1063/5.0197592
date-released: 2024-03-21
url: "https://github.com/crest-lab/crest"
preferred-citation:
type: article
authors:
- family-names: "Pracht"
given-names: "Philipp"
orcid: "https://orcid.org/0000-0002-8495-9504"
- family-names: "Grimme"
given-names: "Stefan"
orcid: "https://orcid.org/0000-0002-5844-4371"
- family-names: "Bannwarth"
given-names: "Christoph"
orcid: "https://orcid.org/0000-0003-3242-496X"
- family-names: "Bohle"
given-names: "Fabian"
orcid: "https://orcid.org/0000-0003-2621-6339"
- family-names: "Ehlert"
given-names: "Sebastian"
orcid: "https://orcid.org/0000-0001-7809-771X"
- family-names: "Feldmann"
given-names: "Gereon"
orcid: "https://orcid.org/0009-0009-1466-4610"
- family-names: "Gorges"
given-names: "Johannes"
orcid: "https://orcid.org/0000-0002-9309-0193"
- family-names: "Müller"
given-names: "Marcel"
orcid: "https://orcid.org/0000-0002-5398-4192"
- family-names: "Neudecker"
given-names: "Tim"
orcid: "https://orcid.org/0000-0001-7599-3578"
- family-names: "Plett"
given-names: "Christoph"
orcid: "https://orcid.org/0000-0002-3911-2478"
- family-names: "Spicher"
given-names: "Sebastian"
orcid: "https://orcid.org/0000-0001-6541-3680"
- family-names: "Steinbach"
given-names: "Pit"
orcid: "https://orcid.org/0000-0001-7437-242X"
- family-names: "Wesołowski"
given-names: "Patryk Adam"
orcid: "https://orcid.org/0000-0002-7751-980X"
- family-names: "Zeller"
given-names: "Felix"
orcid: "https://orcid.org/0000-0001-9140-8359"
doi: "10.1063/5.0197592"
journal: "J. Chem. Phys"
month: 03
start: 114110
title: "CREST - A program for the exploration of low-energy molecular chemical space"
issue: 160
volume: 11
year: 2024