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On the theory of time-resolved X-ray diffraction.
Henriksen NE, Møller KB. Henriksen NE, et al. J Phys Chem B. 2008 Jan 17;112(2):558-67. doi: 10.1021/jp075497e. Epub 2007 Dec 6. J Phys Chem B. 2008. PMID: 18052363
Atomistic characterization of the active-site solvation dynamics of a model photocatalyst.
van Driel TB, Kjær KS, Hartsock RW, Dohn AO, Harlang T, Chollet M, Christensen M, Gawelda W, Henriksen NE, Kim JG, Haldrup K, Kim KH, Ihee H, Kim J, Lemke H, Sun Z, Sundström V, Zhang W, Zhu D, Møller KB, Nielsen MM, Gaffney KJ. van Driel TB, et al. Among authors: henriksen ne. Nat Commun. 2016 Nov 28;7:13678. doi: 10.1038/ncomms13678. Nat Commun. 2016. PMID: 27892472 Free PMC article.
Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex.
Dohn AO, Jónsson EÖ, Levi G, Mortensen JJ, Lopez-Acevedo O, Thygesen KS, Jacobsen KW, Ulstrup J, Henriksen NE, Møller KB, Jónsson H. Dohn AO, et al. Among authors: henriksen ne. J Chem Theory Comput. 2017 Dec 12;13(12):6010-6022. doi: 10.1021/acs.jctc.7b00621. Epub 2017 Nov 15. J Chem Theory Comput. 2017. PMID: 29083921
40 results