cis → trans photoisomerisation of azobenzene: a fresh theoretical look
Merritt, Isabella C. D., Jacquemin, Denis, Vacher, Morgane
Published in Physical chemistry chemical physics : PCCP (15.09.2021)
Published in Physical chemistry chemical physics : PCCP (15.09.2021)
Get full text
Journal Article
Modern quantum chemistry with [Open]Molcas
Aquilante, Francesco, Autschbach, Jochen, Baiardi, Alberto, Battaglia, Stefano, Borin, Veniamin A., Chibotaru, Liviu F., Conti, Irene, De Vico, Luca, Delcey, Mickaël, Fdez. Galván, Ignacio, Ferré, Nicolas, Freitag, Leon, Garavelli, Marco, Gong, Xuejun, Knecht, Stefan, Larsson, Ernst D., Lindh, Roland, Lundberg, Marcus, Malmqvist, Per Åke, Nenov, Artur, Norell, Jesper, Odelius, Michael, Olivucci, Massimo, Pedersen, Thomas B., Pedraza-González, Laura, Phung, Quan M., Pierloot, Kristine, Reiher, Markus, Schapiro, Igor, Segarra-Martí, Javier, Segatta, Francesco, Seijo, Luis, Sen, Saumik, Sergentu, Dumitru-Claudiu, Stein, Christopher J., Ungur, Liviu, Vacher, Morgane, Valentini, Alessio, Veryazov, Valera
Published in The Journal of chemical physics (07.06.2020)
Published in The Journal of chemical physics (07.06.2020)
Get full text
Journal Article
Extracting sub-cycle electronic and nuclear dynamics from high harmonic spectra
Austin, Dane R, Johnson, Allan S, McGrath, Felicity, Wood, David, Miseikis, Lukas, Siegel, Thomas, Hawkins, Peter, Harvey, Alex, Mašín, Zdeněk, Patchkovskii, Serguei, Vacher, Morgane, Malhado, João Pedro, Ivanov, Misha Y, Smirnova, Olga, Marangos, Jon P
Published in Scientific reports (28.01.2021)
Published in Scientific reports (28.01.2021)
Get full text
Journal Article
Communication: oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and Gly-Gly-NH-CH3 radical cations
Vacher, Morgane, Bearpark, Michael J, Robb, Michael A
Published in The Journal of chemical physics (28.05.2014)
Published in The Journal of chemical physics (28.05.2014)
Get more information
Journal Article
Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations
Jenkins, Andrew J, Vacher, Morgane, Bearpark, Michael J, Robb, Michael A
Published in The Journal of chemical physics (14.03.2016)
Published in The Journal of chemical physics (14.03.2016)
Get more information
Journal Article
How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?
Vacher, Morgane, Farahani, Pooria, Valentini, Alessio, Frutos, Luis Manuel, Karlsson, Hans O, Fdez. Galván, Ignacio, Lindh, Roland
Published in The journal of physical chemistry letters (17.08.2017)
Published in The journal of physical chemistry letters (17.08.2017)
Get full text
Journal Article
Publisher's Note: "Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations" [J. Chem. Phys. 144, 104110 (2016)]
Jenkins, Andrew J, Vacher, Morgane, Bearpark, Michael J, Robb, Michael A
Published in The Journal of chemical physics (28.03.2016)
Published in The Journal of chemical physics (28.03.2016)
Get more information
Journal Article
Simulating Attochemistry: Which Dynamics Method to Use?
Tran, Thierry, Ferté, Anthony, Vacher, Morgane
Published in The journal of physical chemistry letters (04.04.2024)
Published in The journal of physical chemistry letters (04.04.2024)
Get full text
Journal Article
photoisomerisation of azobenzene: a fresh theoretical look
Merritt, Isabella C. D, Jacquemin, Denis, Vacher, Morgane
Published in Physical chemistry chemical physics : PCCP (15.09.2021)
Published in Physical chemistry chemical physics : PCCP (15.09.2021)
Get full text
Journal Article