Getting started in computational quantum chemistry
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2013-09-01
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| Series: | Frontiers in Chemistry |
| Subjects: | |
| Online Access: | http://journal.frontiersin.org/Journal/10.3389/fchem.2013.00014/full |
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doaj-1f6da311333440c89cbcd6937c035873 |
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Article |
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doaj-1f6da311333440c89cbcd6937c0358732020-11-24T22:43:33ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462013-09-01110.3389/fchem.2013.0001465389Getting started in computational quantum chemistrySam P De Visser0University of Manchesterhttp://journal.frontiersin.org/Journal/10.3389/fchem.2013.00014/fullQuantum Theorycomputational modelingdensity functional theory (DFT) calculationsmolecular structure and function relationsElectronic Structure Theory |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Sam P De Visser |
| spellingShingle |
Sam P De Visser Getting started in computational quantum chemistry Frontiers in Chemistry Quantum Theory computational modeling density functional theory (DFT) calculations molecular structure and function relations Electronic Structure Theory |
| author_facet |
Sam P De Visser |
| author_sort |
Sam P De Visser |
| title |
Getting started in computational quantum chemistry |
| title_short |
Getting started in computational quantum chemistry |
| title_full |
Getting started in computational quantum chemistry |
| title_fullStr |
Getting started in computational quantum chemistry |
| title_full_unstemmed |
Getting started in computational quantum chemistry |
| title_sort |
getting started in computational quantum chemistry |
| publisher |
Frontiers Media S.A. |
| series |
Frontiers in Chemistry |
| issn |
2296-2646 |
| publishDate |
2013-09-01 |
| topic |
Quantum Theory computational modeling density functional theory (DFT) calculations molecular structure and function relations Electronic Structure Theory |
| url |
http://journal.frontiersin.org/Journal/10.3389/fchem.2013.00014/full |
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AT sampdevisser gettingstartedincomputationalquantumchemistry |
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