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The Dalton quantum chemistry program system.
Wiley Interdiscip Rev Comput Mol Sci. 2014 May;4(3):269-284. doi: 10.1002/wcms.1172.
Wiley Interdiscip Rev Comput Mol Sci. 2014.
PMID: 25309629
Free PMC article.
Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings.
Hjertenæs E, Trinh TT, Koch H.
Hjertenæs E, et al.
Phys Chem Chem Phys. 2016 Jul 21;18(27):17831-5. doi: 10.1039/c6cp02651f. Epub 2016 Jun 27.
Phys Chem Chem Phys. 2016.
PMID: 27345929
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A ReaxFF force field for sodium intrusion in graphitic cathodes.
Hjertenæs E, Nguyen AQ, Koch H.
Hjertenæs E, et al.
Phys Chem Chem Phys. 2016 Nov 23;18(46):31431-31440. doi: 10.1039/c6cp06774c.
Phys Chem Chem Phys. 2016.
PMID: 27827472
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Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes.
Hjertenaes E, Andersson S, Koch H.
Hjertenaes E, et al.
Chemphyschem. 2016 Sep 19;17(18):2908-15. doi: 10.1002/cphc.201600353. Epub 2016 Jul 15.
Chemphyschem. 2016.
PMID: 27303941
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