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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.
The polarizable embedding coupled cluster method.
Sneskov K, Schwabe T, Kongsted J, Christiansen O.
Sneskov K, et al.
J Chem Phys. 2011 Mar 14;134(10):104108. doi: 10.1063/1.3560034.
J Chem Phys. 2011.
PMID: 21405157
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Scrutinizing the effects of polarization in QM/MM excited state calculations.
Sneskov K, Schwabe T, Christiansen O, Kongsted J.
Sneskov K, et al.
Phys Chem Chem Phys. 2011 Nov 7;13(41):18551-60. doi: 10.1039/c1cp22067e. Epub 2011 Sep 22.
Phys Chem Chem Phys. 2011.
PMID: 21947164
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Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants.
Sneskov K, Olsen JM, Schwabe T, Hättig C, Christiansen O, Kongsted J.
Sneskov K, et al.
Phys Chem Chem Phys. 2013 May 28;15(20):7567-76. doi: 10.1039/c3cp44350g. Epub 2013 Apr 15.
Phys Chem Chem Phys. 2013.
PMID: 23588588
Free article.
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Approximate Inclusion of Triple Excitations in Combined Coupled Cluster/Molecular Mechanics: Calculations of Electronic Excitation Energies in Solution for Acrolein, Water, Formamide, and N-Methylacetamide.
Sneskov K, Matito E, Kongsted J, Christiansen O.
Sneskov K, et al.
J Chem Theory Comput. 2010 Mar 9;6(3):839-50. doi: 10.1021/ct900641w.
J Chem Theory Comput. 2010.
PMID: 26613311
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PERI-CC2: A Polarizable Embedded RI-CC2 Method.
Schwabe T, Sneskov K, Haugaard Olsen JM, Kongsted J, Christiansen O, Hättig C.
Schwabe T, et al. Among authors: sneskov k.
J Chem Theory Comput. 2012 Sep 11;8(9):3274-83. doi: 10.1021/ct3003749. Epub 2012 Aug 9.
J Chem Theory Comput. 2012.
PMID: 26605734
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Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein.
Rocha-Rinza T, Sneskov K, Christiansen O, Ryde U, Kongsted J.
Rocha-Rinza T, et al. Among authors: sneskov k.
Phys Chem Chem Phys. 2011 Jan 28;13(4):1585-9. doi: 10.1039/c0cp01075h. Epub 2010 Dec 6.
Phys Chem Chem Phys. 2011.
PMID: 21132197
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Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations.
Schwabe T, Olsen JM, Sneskov K, Kongsted J, Christiansen O.
Schwabe T, et al. Among authors: sneskov k.
J Chem Theory Comput. 2011 Jul 12;7(7):2209-17. doi: 10.1021/ct200258g. Epub 2011 Jun 1.
J Chem Theory Comput. 2011.
PMID: 26606490
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