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Amos, Roger D., Kobayashi, Rika (2024) Computational studies of HCCCCS isomers. Molecular Physics, 122 (7) doi:10.1080/00268976.2023.2203269

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Reference TypeJournal (article/letter/editorial)
TitleComputational studies of HCCCCS isomers
JournalMolecular Physics
AuthorsAmos, Roger D.Author
Kobayashi, RikaAuthor
Year2024 (April 17)Volume122
Issue7
PublisherInforma UK Limited
DOIdoi:10.1080/00268976.2023.2203269Search in ResearchGate
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Mindat Ref. ID17383870Long-form Identifiermindat:1:5:17383870:1
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Full ReferenceAmos, Roger D., Kobayashi, Rika (2024) Computational studies of HCCCCS isomers. Molecular Physics, 122 (7) doi:10.1080/00268976.2023.2203269
Plain TextAmos, Roger D., Kobayashi, Rika (2024) Computational studies of HCCCCS isomers. Molecular Physics, 122 (7) doi:10.1080/00268976.2023.2203269
In(2024, April) Molecular Physics Vol. 122 (7) Informa UK Limited

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Amos, Roger D, Kobayashi, Rika (2015) Ab initio investigation of the structures and energies of spiropyran and merocyanine isomers. Molecular Physics, 113. 1674-1681 doi:10.1080/00268976.2014.1003987
Kobayashi, Rika, Amos, Roger D. (2013) Theoretical investigation of the isomerisation of merocyanine. Molecular Physics, 111. 1574-1579 doi:10.1080/00268976.2013.804958
Rostov, Ivan V., Kobayashi, Rika, Amos, Roger D. (2012) Comparing long-range corrected functionals in the cis–trans isomerisation of the retinal chromophore. Molecular Physics, 110. 2329-2336 doi:10.1080/00268976.2012.679631
Kobayashi, Rika, Amos, Roger D., Reid, David M., Collins, Michael A. (2018) Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift Calculations. The Journal of Physical Chemistry A, 122 (46). 9135-9141 doi:10.1021/acs.jpca.8b09565
Kobayashi, Rika, Amos, Roger D., Handy, Nicholas C. (1994) Large basis set calculations using Brueckner theory. The Journal of Chemical Physics, 100 (2). 1375-1379 doi:10.1063/1.466615
M. HĂźhn, Markus, Amos, Roger D., Kobayashi, Rika, Handy, Nicholas C. (1993) Structure and properties of disilyne. The Journal of Chemical Physics, 98 (9). 7107-7112 doi:10.1063/1.464754
Kobayashi, Rika, Amos, Roger D., Koch, Henrik, Jørgensen, Poul (1996) Dynamic CCSD polarisabilities of CHF3 and CHCl3. Chemical Physics Letters, 253. 373-376 doi:10.1016/0009-2614(96)00328-4
Kobayashi, Rika, Amos, Roger D. (2006) The application of CAM-B3LYP to the charge-transfer band problem of the zincbacteriochlorin–bacteriochlorin complex. Chemical Physics Letters, 420. 106-109 doi:10.1016/j.cplett.2005.12.040
Amos, Roger D., Kobayashi, Rika (2019) Feature Engineering for Materials Chemistry—Does Size Matter?. Journal of Chemical Information and Modeling, 59 (5) 1873-1881 doi:10.1021/acs.jcim.8b00977
Li, Musen, Reimers, Jeffrey R., Ford, Michael J., Kobayashi, Rika, Amos, Roger D. (2021) Accurate prediction of the properties of materials using the CAM‐B3LYP density functional. Journal of Computational Chemistry, 42 (21) 1486-1497 doi:10.1002/jcc.26558
Kobayashi, Rika, Amos, Roger, Collins, Michael A. (2017) Microsolvation within the Systematic Molecular Fragmentation by Annihilation Approach. The Journal of Physical Chemistry A, 121 (1). 334-341 doi:10.1021/acs.jpca.6b10919
 
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