Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA

Bibliographic Details
Format: Other/Unknown Material
Language:unknown
Published: American Chemical Society (ACS) 2023
Subjects:
Orca
Online Access:http://dx.doi.org/10.1021/acs.jctc.3c00270.s001
id cracsoc:10.1021/acs.jctc.3c00270.s001
record_format openpolar
spelling cracsoc:10.1021/acs.jctc.3c00270.s001 2024-02-27T08:44:18+00:00 Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA 2023-07-24T13:10:29Z http://dx.doi.org/10.1021/acs.jctc.3c00270.s001 unknown American Chemical Society (ACS) component 2023 cracsoc https://doi.org/10.1021/acs.jctc.3c00270.s001 2024-01-30T08:05:05Z Other/Unknown Material Orca ACS Publications
institution Open Polar
collection ACS Publications
op_collection_id cracsoc
language unknown
format Other/Unknown Material
title Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
spellingShingle Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
title_short Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
title_full Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
title_fullStr Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
title_full_unstemmed Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
title_sort accurate calculation of isomerization and conformational energies of larger molecules using explicitly correlated local coupled cluster methods in molpro and orca
publisher American Chemical Society (ACS)
publishDate 2023
url http://dx.doi.org/10.1021/acs.jctc.3c00270.s001
genre Orca
genre_facet Orca
op_doi https://doi.org/10.1021/acs.jctc.3c00270.s001
_version_ 1792052693184806912

Similar Items