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2020
Mark Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum
Naumova, Maria A. ; Kalinko, Aleksandr ; Wong, Joanne W.L. ; Alvarez Gutierrez, Sol ; Meng, Jie ; Liang, Mingli ; Abdellah, Mohamed ^LU ; Geng, Huifang ^LU ; Lin, Weihua ^LU and Kubicek, Katharina , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
Mark Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems
Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav ; Kjellgren, Erik ; Reinholdt, Peter ; Hjorth Dundas, Karen Oda ; Li, Xin ; Cukras, Janusz ; Ringholm, Magnus and Hedegård, Erik D. ^LU , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
Mark Modern quantum chemistry with [Open]Molcas
Aquilante, Francesco ^LU ; Autschbach, Jochen ; Baiardi, Alberto ; Battaglia, Stefano ; Borin, Veniamin A. ; Chibotaru, Liviu F. ; Conti, Irene ; De Vico, Luca ^LU ; Delcey, Mickaël ^LU and Fdez Galván, Ignacio , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
Mark Pair-distribution function of active Brownian spheres in two spatial dimensions : Simulation results and analytic representation
Jeggle, Julian ; Stenhammar, Joakim ^LU and Wittkowski, Raphael (2020) In Journal of Chemical Physics 152(19).
- Contribution to journal › Article
Mark The DIRAC code for relativistic molecular calculations
Saue, Trond ; Bast, Radovan ; Gomes, André Severo Pereira ; Jensen, Hans Jørgen Aa ; Visscher, Lucas ; Aucar, Ignacio Agustín ; Di Remigio, Roberto ; Dyall, Kenneth G. ; Eliav, Ephraim and Fasshauer, Elke , et al. (2020) In The Journal of chemical physics 152(20). p.204104-204104
- Contribution to journal › Article
Mark Self-assembly and entropic effects in pear-shaped colloid systems. II. Depletion attraction of pear-shaped particles in a hard-sphere solvent
Schönhöfer, Philipp W.A. ; Marechal, Matthieu ; Cleaver, Douglas J. and Schröder-Turk, Gerd E. (2020) In Journal of Chemical Physics 153(3).
- Contribution to journal › Article
Mark Low-temperature statistical mechanics of the Quantizer problem : Fast quenching and equilibrium cooling of the three-dimensional Voronoi liquid
Hain, Tobias M. ; Klatt, Michael A. and Schröder-Turk, Gerd E. (2020) In The Journal of chemical physics 153(23). p.234505-234505
- Contribution to journal › Article
2019
Mark Potential pitfalls of the early-time dynamics in two-dimensional electronic spectroscopy
Paleček, David ^LU ; Edlund, Petra ; Gustavsson, Emil ; Westenhoff, Sebastian ^LU and Zigmantas, Donatas ^LU (2019) In Journal of Chemical Physics 151(2).
- Contribution to journal › Article
Mark Elucidation of the photoaquation reaction mechanism in ferrous hexacyanide using synchrotron x-rays with sub-pulse-duration sensitivity
March, Anne Marie ; Doumy, Gilles ; Andersen, Amity ; Al Haddad, Andre ; Kumagai, Yoshiaki ; Tu, Ming Feng ; Bang, Joohee ; Bostedt, Christoph ; Uhlig, Jens ^LU and Nascimento, Daniel R. , et al. (2019) In Journal of Chemical Physics 151(14).
- Contribution to journal › Article
Mark Resonant inelastic X-ray scattering of a Ru photosensitizer : Insights from individual ligands to the electronic structure of the complete molecule
Temperton, Robert H. ; Skowron, Stephen T. ; Handrup, Karsten ^LU ; Gibson, Andrew J. ; Nicolaou, Alessandro ; Jaouen, Nicolas ; Besley, Elena and O'Shea, James N. (2019) In Journal of Chemical Physics 151(7).
- Contribution to journal › Article

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