| Year |
Citation |
Score |
| 2024 |
Hoffmann G, Guégan F, Labet V, Joubert L, Chermette H, Morell C, Tognetti V. Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. Journal of Computational Chemistry. PMID 38580454 DOI: 10.1002/jcc.27363 |
0.659 |
|
| 2013 |
Labet V, Jorge N, Morell C, Douki T, Grand A, Cadet J, Eriksson LA. UV-induced formation of the thymine-thymine pyrimidine (6-4) pyrimidone photoproduct--a DFT study of the oxetane intermediate ring opening. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 12: 1509-16. PMID 23831678 DOI: 10.1039/C3Pp50069A |
0.765 |
|
| 2013 |
Labet V, Colomban P. Vibrational properties of silicates: A cluster model able to reproduce the effect of "SiO4" polymerization on Raman intensities Journal of Non-Crystalline Solids. 370: 10-17. DOI: 10.1016/J.Jnoncrysol.2013.03.025 |
0.304 |
|
| 2012 |
Zaleski-Ejgierd P, Labet V, Strobel TA, Hoffmann R, Ashcroft NW. WH(n) under pressure. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 155701. PMID 22418444 DOI: 10.1088/0953-8984/24/15/155701 |
0.455 |
|
| 2012 |
Labet V, Hoffmann R, Ashcroft NW. A fresh look at dense hydrogen under pressure. IV. Two structural models on the road from paired to monatomic hydrogen, via a possible non-crystalline phase. The Journal of Chemical Physics. 136: 074504. PMID 22360245 DOI: 10.1063/1.3679751 |
0.427 |
|
| 2012 |
Labet V, Hoffmann R, Ashcroft NW. A fresh look at dense hydrogen under pressure. III. Two competing effects and the resulting intra-molecular H-H separation in solid hydrogen under pressure. The Journal of Chemical Physics. 136: 074503. PMID 22360244 DOI: 10.1063/1.3679749 |
0.457 |
|
| 2012 |
Labet V, Hoffmann R, Ashcroft NW. A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations. The Journal of Chemical Physics. 136: 074502. PMID 22360243 DOI: 10.1063/1.3679736 |
0.465 |
|
| 2012 |
Labet V, Gonzalez-Morelos P, Hoffmann R, Ashcroft NW. A fresh look at dense hydrogen under pressure. I. an introduction to the problem, and an index probing equalization of H-H distances. The Journal of Chemical Physics. 136: 074501. PMID 22360242 DOI: 10.1063/1.3679662 |
0.445 |
|
| 2012 |
Grand A, Cadet J, Eriksson LA, Labet V, Jorge NL, Schreiber ML, Douki T, Morell C. Comparison of the mechanism of deamination of 5,6-dihydro-5-methylcytosine with other cytosine derivatives Theoretical Chemistry Accounts. 131: 1-11. DOI: 10.1007/S00214-012-1187-X |
0.706 |
|
| 2011 |
Morell C, Labet V, Ayers PW, Genovese L, Grand A, Chermette H. Use of the dual potential to rationalize the occurrence of some DNA lesions (pyrimidic dimers). The Journal of Physical Chemistry. A. 115: 8032-40. PMID 21634438 DOI: 10.1021/Jp202839U |
0.736 |
|
| 2011 |
Wen XD, Hand L, Labet V, Yang T, Hoffmann R, Ashcroft NW, Oganov AR, Lyakhov AO. Graphane sheets and crystals under pressure Proceedings of the National Academy of Sciences of the United States of America. 108: 6833-6837. DOI: 10.1073/Pnas.1103145108 |
0.381 |
|
| 2011 |
Labet V, Hoffmann R, Ashcroft NW. Molecular models for WH6 under pressure New Journal of Chemistry. 35: 2349-2355. DOI: 10.1039/C1Nj20560A |
0.456 |
|
| 2011 |
Berton N, Ottone C, Labet V, De Bettignies R, Bailly S, Grand A, Morell C, Sadki S, Chandezon F. New alternating copolymers of 3,6-carbazoles and dithienylbenzothiadiazoles: Synthesis, characterization, and application in photovoltaics Macromolecular Chemistry and Physics. 212: 2127-2141. DOI: 10.1002/Macp.201100209 |
0.705 |
|
| 2010 |
Labet V, Morell C, Toro-Labbé A, Grand A. Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms. Physical Chemistry Chemical Physics : Pccp. 12: 4142-51. PMID 20379505 DOI: 10.1039/B924589H |
0.749 |
|
| 2010 |
Labet V, Morell C, Douki T, Cadet J, Eriksson LA, Grand A. Hydrolytic deamination of 5,6-dihydrocytosine in a protic medium: a theoretical study. The Journal of Physical Chemistry. A. 114: 1826-34. PMID 20055498 DOI: 10.1021/Jp9049044 |
0.768 |
|
| 2010 |
Morell C, Labet V, Ayers PW, Jorge NL, Grand A. Extending the 'Grochala-Albrecht-Hoffmann approximation' to the determination of the first excited state potential energy profile of a reaction step Chemical Physics Letters. 485: 371-375. DOI: 10.1016/J.Cplett.2009.12.060 |
0.753 |
|
| 2009 |
Morell C, Labet V, Grand A, Ayers PW, De Proft F, Geerlings P, Chermette H. Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential. Journal of Chemical Theory and Computation. 5: 2274-83. PMID 26616614 DOI: 10.1021/Ct900248A |
0.754 |
|
| 2009 |
Morell C, Labet V, Grand A, Chermette H. Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness. Physical Chemistry Chemical Physics : Pccp. 11: 3417-23. PMID 19421543 DOI: 10.1039/B818534D |
0.727 |
|
| 2009 |
Labet V, Grand A, Morell C, Cadet J, Eriksson LA. Mechanism of nitric oxide induced deamination of cytosine. Physical Chemistry Chemical Physics : Pccp. 11: 2379-86. PMID 19325969 DOI: 10.1039/B818669C |
0.755 |
|
| 2009 |
Labet V, Morell C, Cadet J, Eriksson LA, Grand A. Hydrolytic deamination of 5-methylcytosine in protic medium--a theoretical study. The Journal of Physical Chemistry. A. 113: 2524-33. PMID 19220027 DOI: 10.1021/Jp808902J |
0.751 |
|
| 2009 |
Morell C, Labet V, Grand A, Ayers PW, De Proft F, Geerlings P, Chermette H. Characterization of the chemical behavior of the low excited states through a local chemical potential Journal of Chemical Theory and Computation. 5: 2274-2283. DOI: 10.1021/ct900248a |
0.717 |
|
| 2008 |
Labet V, Morell C, Grand A, Toro-Labbé A. Theoretical study of cytosine deamination from the perspective of the reaction force analysis. The Journal of Physical Chemistry. A. 112: 11487-94. PMID 18928267 DOI: 10.1021/Jp8059097 |
0.742 |
|
| 2008 |
Labet V, Morell C, Grand A, Cadet J, Cimino P, Barone V. Formation of cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study. Organic & Biomolecular Chemistry. 6: 3300-5. PMID 18802636 DOI: 10.1039/B805589K |
0.695 |
|
| 2008 |
Labet V, Grand A, Cadet J, Eriksson LA. Deamination of the radical cation of the base moiety of 2'-deoxycytidine: a theoretical study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1195-203. PMID 18438773 DOI: 10.1002/Cphc.200800154 |
0.612 |
|
| 2008 |
Labet V, Grand A, Morell C, Cadet J, Eriksson LA. Proton catalyzed hydrolytic deamination of cytosine: A computational study Theoretical Chemistry Accounts. 120: 429-435. DOI: 10.1007/S00214-008-0418-7 |
0.761 |
|
| 2007 |
Grand A, Morell C, Labet V, Cadet J, Eriksson LA. *H atom and *OH radical reactions with 5-methylcytosine. The Journal of Physical Chemistry. A. 111: 8968-72. PMID 17722896 DOI: 10.1021/Jp0737799 |
0.744 |
|
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