M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...

ORCA Calculations ...

Bibliographic Details
Main Author: Rzepa, Henry
Format: Dataset
Language:unknown
Published: Imperial College London 2024
Subjects:
InChI=1S/C72H60N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-36,41-44,73-76H,37-40H2,1-4H3/t41-,42-,43-,44-/m1/s1
InChI=1S/C72H52N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-44H,1-4H3/b73-37+,74-38+,75-39+,76-40+/t41-,42-,43-,44-/m1/s1
MLYWRZIYOLZTKM-OWIHLRRYSA-N
FPDMXMLUIDBZRS-XXJWAVHLSA-N
Orca
Online Access:https://dx.doi.org/10.14469/hpc/13571
https://data.hpc.imperial.ac.uk/resolve/?doi=13571
id ftdatacite:10.14469/hpc/13571
record_format openpolar
spelling ftdatacite:10.14469/hpc/13571 2024-02-27T08:44:19+00:00 M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ... Rzepa, Henry 2024 https://dx.doi.org/10.14469/hpc/13571 https://data.hpc.imperial.ac.uk/resolve/?doi=13571 unknown Imperial College London https://data.hpc.imperial.ac.uk/resolve/?ore=13571 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=1 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=2 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=3 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=4 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=5 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=6 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=7 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=8 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=9 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=10 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=11 https://data.hpc.imperial.ac.uk/resolve/?ore=13571 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=1 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=2 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=3 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=4 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=5 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=6 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=7 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=8 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=9 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=10 https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=11 https://dx.doi.org/10.14469/hpc/13570 Creative Commons Zero v1.0 Universal https://creativecommons.org/publicdomain/zero/1.0/legalcode cc0-1.0 InChI=1S/C72H60N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-36,41-44,73-76H,37-40H2,1-4H3/t41-,42-,43-,44-/m1/s1 InChI=1S/C72H52N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-44H,1-4H3/b73-37+,74-38+,75-39+,76-40+/t41-,42-,43-,44-/m1/s1 MLYWRZIYOLZTKM-OWIHLRRYSA-N FPDMXMLUIDBZRS-XXJWAVHLSA-N Results dataset Dataset 2024 ftdatacite https://doi.org/10.14469/hpc/1357110.14469/hpc/13570 2024-02-01T14:59:23Z ORCA Calculations ... Dataset Orca DataCite Metadata Store (German National Library of Science and Technology)
institution Open Polar
collection DataCite Metadata Store (German National Library of Science and Technology)
op_collection_id ftdatacite
language unknown
topic InChI=1S/C72H60N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-36,41-44,73-76H,37-40H2,1-4H3/t41-,42-,43-,44-/m1/s1
InChI=1S/C72H52N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-44H,1-4H3/b73-37+,74-38+,75-39+,76-40+/t41-,42-,43-,44-/m1/s1
MLYWRZIYOLZTKM-OWIHLRRYSA-N
FPDMXMLUIDBZRS-XXJWAVHLSA-N
spellingShingle InChI=1S/C72H60N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-36,41-44,73-76H,37-40H2,1-4H3/t41-,42-,43-,44-/m1/s1
InChI=1S/C72H52N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-44H,1-4H3/b73-37+,74-38+,75-39+,76-40+/t41-,42-,43-,44-/m1/s1
MLYWRZIYOLZTKM-OWIHLRRYSA-N
FPDMXMLUIDBZRS-XXJWAVHLSA-N
Rzepa, Henry
M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...
topic_facet InChI=1S/C72H60N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-36,41-44,73-76H,37-40H2,1-4H3/t41-,42-,43-,44-/m1/s1
InChI=1S/C72H52N4O4/c1-41-61-6549-17-9-5-10-18-496650-19-11-6-12-20-5062-42278-58-30-26-46-34-54587062696153-33-4525-29-575377-4137-73-75-39-47-27-31-59-5535-4771-6343379-596751-21-13-7-14-22-516852-23-15-8-16-24-5264-44480-60-32-28-4840-76-74-38-4636-5660726471/h5-44H,1-4H3/b73-37+,74-38+,75-39+,76-40+/t41-,42-,43-,44-/m1/s1
MLYWRZIYOLZTKM-OWIHLRRYSA-N
FPDMXMLUIDBZRS-XXJWAVHLSA-N
description ORCA Calculations ...
format Dataset
author Rzepa, Henry
author_facet Rzepa, Henry
author_sort Rzepa, Henry
title M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...
title_short M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...
title_full M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...
title_fullStr M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...
title_full_unstemmed M4camb3lypo [(M,M)-8, cam-b3lyp/def2-TZVP] ...
title_sort m4camb3lypo [(m,m)-8, cam-b3lyp/def2-tzvp] ...
publisher Imperial College London
publishDate 2024
url https://dx.doi.org/10.14469/hpc/13571
https://data.hpc.imperial.ac.uk/resolve/?doi=13571
genre Orca
genre_facet Orca
op_relation https://data.hpc.imperial.ac.uk/resolve/?ore=13571
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https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=9
https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=10
https://data.hpc.imperial.ac.uk/resolve/?doi=13571&file=11
https://dx.doi.org/10.14469/hpc/13570
op_rights Creative Commons Zero v1.0 Universal
https://creativecommons.org/publicdomain/zero/1.0/legalcode
cc0-1.0
op_doi https://doi.org/10.14469/hpc/1357110.14469/hpc/13570
_version_ 1792052717381746688

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