Assfeld X - Search Results

1

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins.

Jacquemin D, Perpète EA, Scalmani G, Frisch MJ, Assfeld X, Ciofini I, Adamo C. Jacquemin D, et al. Among authors: assfeld x. J Chem Phys. 2006 Oct 28;125(16):164324. doi: 10.1063/1.2361290. J Chem Phys. 2006. PMID: 17092090

2

Spectral properties of self-assembled squaraine-tetralactam: a theoretical assessment.

Jacquemin D, Perpète EA, Laurent AD, Assfeld X, Adamo C. Jacquemin D, et al. Among authors: assfeld x. Phys Chem Chem Phys. 2009 Feb 28;11(8):1258-62. doi: 10.1039/b817720a. Epub 2009 Jan 12. Phys Chem Chem Phys. 2009. PMID: 19209370

3

Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain.

Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Loos PF, et al. Among authors: assfeld x. J Chem Theory Comput. 2008 Apr;4(4):637-45. doi: 10.1021/ct700188w. J Chem Theory Comput. 2008. PMID: 26620938

4

A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effects.

Etienne T, Very T, Perpète EA, Monari A, Assfeld X. Etienne T, et al. Among authors: assfeld x. J Phys Chem B. 2013 May 2;117(17):4973-80. doi: 10.1021/jp4017882. Epub 2013 Apr 15. J Phys Chem B. 2013. PMID: 23541279

5

Key building block of photoresponsive biomimetic systems.

Revilla-López G, Laurent AD, Perpète EA, Jacquemin D, Torras J, Assfeld X, Alemán C. Revilla-López G, et al. Among authors: assfeld x. J Phys Chem B. 2011 Feb 10;115(5):1232-42. doi: 10.1021/jp108341a. Epub 2011 Jan 6. J Phys Chem B. 2011. PMID: 21210694

6

Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory.

Pastore M, Assfeld X, Mosconi E, Monari A, Etienne T. Pastore M, et al. Among authors: assfeld x. J Chem Phys. 2017 Jul 14;147(2):024108. doi: 10.1063/1.4991561. J Chem Phys. 2017. PMID: 28711042

7

Toward a Quantitative Assessment of Electronic Transitions' Charge-Transfer Character.

Etienne T, Assfeld X, Monari A. Etienne T, et al. Among authors: assfeld x. J Chem Theory Comput. 2014 Sep 9;10(9):3896-905. doi: 10.1021/ct5003994. Epub 2014 Aug 8. J Chem Theory Comput. 2014. PMID: 26588533

8

Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+.

Very T, Despax S, Hébraud P, Monari A, Assfeld X. Very T, et al. Among authors: assfeld x. Phys Chem Chem Phys. 2012 Sep 28;14(36):12496-504. doi: 10.1039/c2cp40935f. Epub 2012 Jun 14. Phys Chem Chem Phys. 2012. PMID: 22700035

9

Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) Complex.

Chantzis A, Very T, Monari A, Assfeld X. Chantzis A, et al. Among authors: assfeld x. J Chem Theory Comput. 2012 May 8;8(5):1536-41. doi: 10.1021/ct300129c. Epub 2012 Apr 16. J Chem Theory Comput. 2012. PMID: 26593648

10

New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge.

Etienne T, Assfeld X, Monari A. Etienne T, et al. Among authors: assfeld x. J Chem Theory Comput. 2014 Sep 9;10(9):3906-14. doi: 10.1021/ct500400s. Epub 2014 Aug 8. J Chem Theory Comput. 2014. PMID: 26588534

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