Niels Engholm Henriksen

Niels Engholm Henriksen

Associate Professor

DTU CHEMISTRY
Department of Chemistry

Kemi: Faculty
Physical and Biophysical Chemnistry: Theoretical, Computational and Femtochemistry

Technical University of Denmark

Building 206, room 207

2800 Lyngby

Ph.
Fax +4545 93 48 08
E-mail neh@kemi.dtu.dk
ORCID 0000-0001-7036-2670
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2018
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Hyperfine-Structure-Induced Depolarization of Impulsively Aligned I-2 Molecules

Thomas, Esben Folger ; Sondergaard, Anders A. ; Shepperson, Benjamin ; Henriksen, Niels Engholm ; Stapelfeldt, Henrik
in: Physical Review Letters, vol: 120, issue: 16

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1103/PhysRevLett.120.163202

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Non-resonant vibrational excitation of HOD and selective bond breaking

Dey, Diptesh ; Henriksen, Niels Engholm
in: Journal of Chemical Physics, vol: 148, issue: 23

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1063/1.5029548

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Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations

Levi, Gianluca ; Pápai, Mátyás Imre ; Henriksen, Niels E. ; Dohn, Asmus O. ; Møller, Klaus B.
in: The Journal of Physical Chemistry Part C, vol: 122, issue: 13, pages: 7100-7119

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.jpcc.8b00301

2017
 

Complete elimination of nonlinear light-matter interactions with broadband ultrafast laser pulses

Shu, Chuan-Cun ; Dong, Daoyi ; Petersen, Ian R. ; Henriksen, Niels Engholm
in: Physical Review A (Atomic, Molecular and Optical Physics), vol: 95, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1103/PhysRevA.95.033809

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Electronic structure and time-dependent description of rotational predissociation of LiH

Jasik, P. ; Sienkiewicz, J. E. ; Domsta, J. ; Henriksen, Niels Engholm
in: Physical Chemistry Chemical Physics, vol: 19, issue: 30, pages: 19777-19783

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1039/c7cp02097j

 

Femtochemistry in the electronic ground state: Dynamic Stark control of vibrational dynamics

Shu, Chuan-Cun ; Thomas, Esben Folger ; Henriksen, Niels Engholm
in: Chemical Physics Letters, vol: 683, pages: 234–239

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1016/j.cplett.2017.03.006

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Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

Dohn, A. O. ; Jónsson, E. Ö. ; Levi, Gianluca ; Mortensen, J. J. ; Lopez-Acevedo, O. ; Thygesen, K. S. ; Jacobsen, K. W. ; Ulstrup, J. ; Henriksen, N. E. ; Møller, K. B. ; Jonsson, H.
in: Journal of Chemical Theory and Computation, vol: 13, issue: 12, pages: 6010–6022

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1021/acs.jctc.7b00621

 

Phase-Modulated Nonresonant Laser Pulses Can Selectively Convert Enantiomers in a Racemic Mixture

Thomas, Esben Folger ; Henriksen, Niels Engholm
in: Journal of Physical Chemistry Letters, vol: 8, issue: 10, pages: 2212-2219

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1021/acs.jpclett.7b00662

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Time-resolved X-ray scattering by electronic wave packets: analytic solutions to the hydrogen atom

Simmermacher, Mats ; Henriksen, Niels Engholm ; Møller, Klaus Braagaard
in: Physical Chemistry Chemical Physics, vol: 19, issue: 30, pages: 19740-19749

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1039/c7cp01831b

2016
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Atomistic characterization of the active-site solvation dynamics of a model photocatalyst

Brandt van Driel, Tim ; Kjær, Kasper Skov ; Hartsock, Robert W. ; Dohn, Asmus Ougaard ; Harlang, Tobias C. B. ; Chollet, Matthieu ; Christensen, Morten ; Gawelda, Wojciech ; Henriksen, Niels Engholm ; Haldrup, Kristoffer ; Kim, Kyung Hwan ; Ihee, Hyotcherl ; Kim, Jeongho ; Lemke, Henrik Till ; Sun, Zheng ; Sundström, Villy ; Zhang, Wenkai ; Zhu, Diling ; Møller, Klaus Braagaard ; Nielsen, Martin Meedom ; Gaffney, Kelly J.
in: Nature Communications, vol: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1038/ncomms13678