☰

Adèle Laurent - Publications

Affiliations: 
2007-2010 Université de Lorraine (Nancy, France) 
 2011-2012 Chemistry University of Southern California, Los Angeles, CA, United States 
 2012- University of Nantes 
Area:
UV/visible absorption, Electronic capture, Core ionization, Qm/mm, Lscf
Tree Info Similar researchers PubMed Report error

29 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Le Guennic B, Scalmani G, Frisch MJ, Laurent AD, Jacquemin D. Investigating the optical properties of BOIMPY dyes using ab initio tools. Physical Chemistry Chemical Physics : Pccp. PMID 28393939 DOI: 10.1039/c7cp01190c  0.332
2017 Grabarz AM, Jędrzejewska B, Zakrzewska A, Zaleśny R, Laurent AD, Jacquemin D, Ośmiałowski B. Photophysical Properties of Phenacylphenantridine Difluoroboranyls: Effect of Substituent and Double Benzannulation. The Journal of Organic Chemistry. 82: 1529-1537. PMID 28067510 DOI: 10.1021/acs.joc.6b02732  0.352
2016 Budzák Š, Laurent AD, Laurence C, Medved' M, Jacquemin D. Solvatochromic Shifts in UV-Vis Absorption Spectra: The Challenging Case of 4-Nitropyridine N-Oxide. Journal of Chemical Theory and Computation. 12: 1919-29. PMID 26967198 DOI: 10.1021/acs.jctc.6b00149  0.322
2016 Grabarz AM, Laurent AD, Jędrzejewska B, Zakrzewska A, Jacquemin D, Ośmiałowski B. The Influence of the π-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group. The Journal of Organic Chemistry. 81: 2280-92. PMID 26894766 DOI: 10.1021/acs.joc.5b02691  0.347
2016 Laurent AD, Medveď M, Jacquemin D. Using Time-Dependent Density Functional Theory to Probe the Nature of Donor-Acceptor Stenhouse Adduct Photochromes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 1846-51. PMID 26867861 DOI: 10.1002/cphc.201600041  0.372
2015 Medveď M, Budzák Š, Laurent AD, Jacquemin D. Direct and indirect effects of dispersion interactions on the electric properties of weakly bound complexes. The Journal of Physical Chemistry. A. 119: 3112-24. PMID 25715173 DOI: 10.1021/acs.jpca.5b00842  0.305
2015 Chibani S, Laurent AD, Le Guennic B, Jacquemin D. Excited states of ladder-type π-conjugated dyes with a joint SOS-CIS(D) and PCM-TD-DFT approach. The Journal of Physical Chemistry. A. 119: 5417-25. PMID 25522826 DOI: 10.1021/jp509700c  0.32
2015 Houari Y, Chibani S, Jacquemin D, Laurent AD. TD-DFT assessment of the excited state intramolecular proton transfer in hydroxyphenylbenzimidazole (HBI) dyes. The Journal of Physical Chemistry. B. 119: 2180-92. PMID 25426781 DOI: 10.1021/jp505036d  0.317
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Laurent AD, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.505
2014 Hubin PO, Laurent AD, Vercauteren DP, Jacquemin D. Investigation of ESIPT in a panel of chromophores presenting N-H∙∙∙N intramolecular hydrogen bonds. Physical Chemistry Chemical Physics : Pccp. 16: 25288-95. PMID 25336353 DOI: 10.1039/c4cp03223c  0.33
2014 Laurent AD, Glushkov VN, Very T, Assfeld X. Toward the understanding of the environmental effects on core ionizations. Journal of Computational Chemistry. 35: 1131-9. PMID 24752947 DOI: 10.1002/Jcc.23604  0.749
2013 Chantzis A, Laurent AD, Adamo C, Jacquemin D. Is the Tamm-Dancoff Approximation Reliable for the Calculation of Absorption and Fluorescence Band Shapes? Journal of Chemical Theory and Computation. 9: 4517-25. PMID 26589168 DOI: 10.1021/ct400597f  0.301
2013 Naseem S, Laurent AD, Carroll EC, Vengris M, Kumauchi M, Hoff WD, Krylov AI, Larsen DS. Photo-isomerization upshifts the pka of the photoactive yellow protein chromophore to contribute to photocycle propagation Journal of Photochemistry and Photobiology a: Chemistry. 270: 43-52. DOI: 10.1016/J.Jphotochem.2013.06.019  0.486
2012 Laurent AD, Mironov VA, Chapagain PP, Nemukhin AV, Krylov AI. Exploring structural and optical properties of fluorescent proteins by squeezing: modeling high-pressure effects on the mStrawberry and mCherry red fluorescent proteins. The Journal of Physical Chemistry. B. 116: 12426-40. PMID 22988813 DOI: 10.1021/Jp3060944  0.612
2011 Revilla-López G, Laurent AD, Perpète EA, Jacquemin D, Torras J, Assfeld X, Alemán C. Key building block of photoresponsive biomimetic systems. The Journal of Physical Chemistry. B. 115: 1232-42. PMID 21210694 DOI: 10.1021/Jp108341A  0.582
2011 Dumont E, Laurent AD, Assfeld X, Jacquemin D. Performances of recently-proposed functionals for describing disulfide radical anions and similar systems Chemical Physics Letters. 501: 245-251. DOI: 10.1016/J.Cplett.2010.11.062  0.61
2010 Laurent AD, Assfeld X. Effect of the Enhanced Cyan Fluorescent Protein framework on the UV/visible absorption spectra of some chromophores. Interdisciplinary Sciences, Computational Life Sciences. 2: 38-47. PMID 20640795 DOI: 10.1007/S12539-010-0084-Z  0.599
2010 Laurent AD, Assfeld X, Jacquemin D, André JM, Perpète EA. Substitution effects on the optical spectra of diarylethene photochroms: Ab initio insights Molecular Simulation. 36: 74-78. DOI: 10.1080/08927020903124551  0.57
2010 Dumont E, Laurent AD, Assfeld X. Intersulfur distance is a key factor in tuning disulfide radical anion vertical UV-visible absorption Journal of Physical Chemistry Letters. 1: 581-586. DOI: 10.1021/Jz900214E  0.581
2010 Dumont E, Loos PF, Laurent AD, Assfeld X. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds International Journal of Quantum Chemistry. 110: 513-523. DOI: 10.1002/Qua.22072  0.731
2009 Dumont É, Laurent AD, Loos PF, Assfeld X. Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein. Journal of Chemical Theory and Computation. 5: 1700-8. PMID 26609860 DOI: 10.1021/Ct900093H  0.704
2009 Jacquemin D, Perpète EA, Laurent AD, Assfeld X, Adamo C. Spectral properties of self-assembled squaraine-tetralactam: a theoretical assessment. Physical Chemistry Chemical Physics : Pccp. 11: 1258-62. PMID 19209370 DOI: 10.1039/B817720A  0.626
2009 Dumont E, Laurent AD, Loos PF, Assfeld X. Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein Journal of Chemical Theory and Computation. 5: 1700-1708. DOI: 10.1021/ct900093h  0.686
2009 Loos PF, Dumont E, Laurent AD, Assfeld X. Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks Chemical Physics Letters. 475: 120-123. DOI: 10.1016/J.Cplett.2009.05.041  0.699
2009 Jacquemin D, Laurent AD, Perpète EA, André J. An ab initio simulation of the UV/visible spectra of N -benzylideneaniline dyes International Journal of Quantum Chemistry. 109: 3506-3515. DOI: 10.1002/Qua.22303  0.311
2008 Dumont E, Loos PF, Laurent AD, Assfeld X. Huge Disulfide-Linkage'S Electron Capture Variation Induced by α-Helix Orientation. Journal of Chemical Theory and Computation. 4: 1171-3. PMID 26631693 DOI: 10.1021/Ct800161M  0.71
2008 Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain. Journal of Chemical Theory and Computation. 4: 637-45. PMID 26620938 DOI: 10.1021/Ct700188W  0.719
2008 Dumont E, Loos PF, Laurent AD, Assfeld X. Huge disulfide-linkage'S electron capture variation induced by α-helix orientation Journal of Chemical Theory and Computation. 4: 1171-1173. DOI: 10.1021/ct800161m  0.672
2008 Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain Journal of Chemical Theory and Computation. 4: 637-645. DOI: 10.1021/ct700188w  0.652
Show low-probability matches.