Molecular energy decompositions
Energy decomposition is a valuable tool for understanding the results of a quantum chemical calculation and connecting them with the genuine chemical concepts. We are summarizing here some of our results obtained in the last decade, and a new scheme is proposed which is capable to solve the problems...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2012-10-01
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| Series: | EPJ Web of Conferences |
| Online Access: | http://dx.doi.org/10.1051/epjconf/20123402002 |
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doaj-6c95d6ea6f834724a6409ddbfe8df508 |
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Article |
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doaj-6c95d6ea6f834724a6409ddbfe8df5082021-08-02T17:01:48ZengEDP SciencesEPJ Web of Conferences2100-014X2012-10-01340200210.1051/epjconf/20123402002Molecular energy decompositionsMayer IstvánEnergy decomposition is a valuable tool for understanding the results of a quantum chemical calculation and connecting them with the genuine chemical concepts. We are summarizing here some of our results obtained in the last decade, and a new scheme is proposed which is capable to solve the problems which previously remained open.http://dx.doi.org/10.1051/epjconf/20123402002 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Mayer István |
| spellingShingle |
Mayer István Molecular energy decompositions EPJ Web of Conferences |
| author_facet |
Mayer István |
| author_sort |
Mayer István |
| title |
Molecular energy decompositions |
| title_short |
Molecular energy decompositions |
| title_full |
Molecular energy decompositions |
| title_fullStr |
Molecular energy decompositions |
| title_full_unstemmed |
Molecular energy decompositions |
| title_sort |
molecular energy decompositions |
| publisher |
EDP Sciences |
| series |
EPJ Web of Conferences |
| issn |
2100-014X |
| publishDate |
2012-10-01 |
| description |
Energy decomposition is a valuable tool for understanding the results of a quantum chemical calculation and connecting them with the genuine chemical concepts. We are summarizing here some of our results obtained in the last decade, and a new scheme is proposed which is capable to solve the problems which previously remained open. |
| url |
http://dx.doi.org/10.1051/epjconf/20123402002 |
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AT mayeristvan molecularenergydecompositions |
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