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Philip Coppens

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Articles 107
Citations 752
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Recent Articles
1.
Basuroy K, Chen Y, Sarkar S, Benedict J, Coppens P
Struct Dyn . 2017 Apr; 4(2):024501. PMID: 28382318
The structural changes accompanying the excitation of the luminescent dibromobenzene derivative, 1,4-dibromo-2,5-bis(octyloxy)benzene, have been measured by in-house monochromatic time-resolved (TR) diffraction at 90 K. Results show an increment of the...
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Coppens P
Struct Dyn . 2017 Feb; 4(3):032102. PMID: 28191481
A short description of some of the paradigm-changing developments of the study of light-induced structural changes in molecular crystals is presented. The review is by no means comprehensive. The extensive...
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Chen Y, Jarzembska K, Trzop E, Coppens P
Chemistry . 2016 Mar; 22(13):4634-6. PMID: 26928979
A summary of the evidence based on spectroscopy, calculated density of states (DOS) and photo-electrochemistry, for electron transfer from the occupied Fe(2+) (d)-β orbital located within the band gap of...
5.
Fournier B, Sokolow J, Coppens P
Acta Crystallogr A Found Adv . 2016 Feb; 72(Pt 2):250-60. PMID: 26919377
Two methods for scaling of multicrystal data collected in time-resolved photocrystallography experiments are discussed. The WLS method is based on a weighted least-squares refinement of laser-ON/laser-OFF intensity ratios. The other,...
6.
Coppens P, Fournier B
Struct Dyn . 2016 Jan; 2(6):064101. PMID: 26798829
The need for data-scaling has become increasingly evident as time-resolved pump-probe photocrystallography is rapidly developing at high intensity X-ray sources. Several aspects of the scaling of data sets collected at...
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Coppens P
Struct Dyn . 2016 Jan; 2(2):020901. PMID: 26798788
A number of examples illustrate structural-dynamics studies of picosecond and slower photo-induced processes. They include molecular rearrangements and excitations. The information that can be obtained from such studies is discussed....
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Dominiak P, Volkov A, Li X, Messerschmidt M, Coppens P
J Chem Theory Comput . 2015 Dec; 3(1):232-47. PMID: 26627168
A comprehensive version of the theoretical databank of transferable aspherical pseudoatoms is described, and its first application to protein-ligand interaction energies is discussed. The databank contains all atom types present...
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Volkov A, King H, Coppens P
J Chem Theory Comput . 2015 Dec; 2(1):81-9. PMID: 26626382
As electrostatic forces play a prominent role in the process of folding and binding of biological macromolecules, an examination of the method dependence of the electrostatic interaction energy is of...
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Coppens P, Sokolow J, Trzop E, Makal A, Chen Y
J Phys Chem Lett . 2015 Aug; 4(4):579-82. PMID: 26281869
[Cu(I)(phen)(PPh3)2][BF4] crystallizes with two nonsymmetry-related molecules in the asymmetric unit. Synchrotron time-resolved X-ray diffraction experiments have shown that the two independent molecules distort differently on MLCT excitation. The luminescence decay...