SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings M Richter, P Marquetand, J González-Vázquez, I Sola, L González Journal of chemical theory and computation 7 (5), 1253-1258, 2011 | 499 | 2011 |
Femtosecond intersystem crossing in the DNA nucleobase cytosine M Richter, P Marquetand, J Gonzalez-Vazquez, I Sola, L González The Journal of Physical Chemistry Letters 3 (21), 3090-3095, 2012 | 175 | 2012 |
Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics M Richter, S Mai, P Marquetand, L González Physical Chemistry Chemical Physics 16 (44), 24423-24436, 2014 | 115 | 2014 |
Singlet and triplet excited‐state dynamics study of the keto and enol tautomers of cytosine S Mai, P Marquetand, M Richter, J González‐Vázquez, L González ChemPhysChem 14 (13), 2920-2931, 2013 | 106 | 2013 |
SHARC2. 1: Surface hopping including arbitrary couplings–program package for non-adiabatic dynamics S Mai, M Richter, M Heindl, M Menger, A Atkins, M Ruckenbauer, ... sharc-md. org, 2019 | 87 | 2019 |
Nonadiabatic ab initio molecular dynamics including spin–orbit coupling and laser fields P Marquetand, M Richter, J González-Vázquez, I Sola, L González Faraday discussions 153, 261-273, 2011 | 74 | 2011 |
Mixed quantum-classical dynamics in the adiabatic representation to simulate molecules driven by strong laser pulses JJ Bajo, J González-Vázquez, IR Sola, J Santamaria, M Richter, ... The Journal of Physical Chemistry A 116 (11), 2800-2807, 2012 | 55 | 2012 |
Excitation of nucleobases from a computational perspective II: Dynamics S Mai, M Richter, P Marquetand, L Gonzalez Photoinduced Phenomena in Nucleic Acids I: Nucleobases in the Gas Phase and …, 2015 | 54 | 2015 |
Coarse-grained representation of the quasi adiabatic propagator path integral for the treatment of non-Markovian long-time bath memory M Richter, BP Fingerhut The Journal of chemical physics 146 (21), 2017 | 47 | 2017 |
The DNA nucleobase thymine in motion–Intersystem crossing simulated with surface hopping S Mai, M Richter, P Marquetand, L González Chemical Physics 482, 9-15, 2017 | 45 | 2017 |
The chemical effect goes resonant–a full quantum mechanical approach on TERS K Fiederling, M Abasifard, M Richter, V Deckert, S Gräfe, S Kupfer Nanoscale 12 (11), 6346-6359, 2020 | 38 | 2020 |
Molecular structure retrieval directly from laboratory-frame photoelectron spectra in laser-induced electron diffraction A Sánchez, K Amini, SJ Wang, T Steinle, B Belsa, J Danek, AT Le, X Liu, ... Nature communications 12 (1), 1520, 2021 | 31 | 2021 |
Simulation of multi-dimensional signals in the optical domain: Quantum-classical feedback in nonlinear exciton propagation M Richter, BP Fingerhut Journal of chemical theory and computation 12 (7), 3284-3294, 2016 | 28 | 2016 |
Non-adiabatic reactions: general discussion SC Althorpe, N Ananth, G Angulo, RD Astumian, V Beniwal, J Blumberger, ... Faraday Discussions 195, 311-344, 2016 | 19 | 2016 |
Novel cellulose-based polyelectrolytes synthesized via the click reaction A Koschella, M Richter, T Heinze Carbohydrate research 345 (8), 1028-1033, 2010 | 19 | 2010 |
Correction to “SHARC–Ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings”[J. Chem. Theory Comput. 2011, 7, 1253–1258] M Richter, P Marquetand, J González-Vázquez, I Sola, L González Journal of Chemical Theory and Computation 8 (1), 374-374, 2012 | 14 | 2012 |
Spatially resolving the enhancement effect in surface-enhanced coherent anti-Stokes Raman scattering by plasmonic Doppler gratings L Ouyang, T Meyer-Zedler, KM See, WL Chen, FC Lin, D Akimov, ... ACS nano 15 (1), 809-818, 2020 | 13 | 2020 |
Coupled excitation energy and charge transfer dynamics in reaction centre inspired model systems M Richter, BP Fingerhut Faraday discussions 216, 72-93, 2019 | 11 | 2019 |
Post-ionization dynamics of the polar molecule OCS in asymmetric laser fields T Endo, KM Ziems, M Richter, FG Fröbel, A Hishikawa, S Gräfe, F Légaré, ... Frontiers in Chemistry 10, 859750, 2022 | 9 | 2022 |
Tailored charge transfer kinetics in precursors for organic radical batteries: A joint synthetic‐theoretical approach C Zens, C Friebe, US Schubert, M Richter, S Kupfer ChemSusChem 16 (2), e202201679, 2023 | 8 | 2023 |