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cracsoc:10.1021/acs.jctc.3c00270.s001
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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
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Open Polar
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ACS Publications
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cracsoc
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unknown
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Other/Unknown Material
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title |
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
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spellingShingle |
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
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title_short |
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
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title_full |
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
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title_fullStr |
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
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title_full_unstemmed |
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
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title_sort |
accurate calculation of isomerization and conformational energies of larger molecules using explicitly correlated local coupled cluster methods in molpro and orca
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publisher |
American Chemical Society (ACS)
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publishDate |
2023
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url |
http://dx.doi.org/10.1021/acs.jctc.3c00270.s001
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Orca
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Orca
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op_doi |
https://doi.org/10.1021/acs.jctc.3c00270.s001
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_version_ |
1792052693184806912
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