| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 84 | 2023 |
| Tracking excited state decay mechanisms of pyrimidine nucleosides in real time R Borrego-Varillas, A Nenov, P Kabaciński, I Conti, L Ganzer, A Oriana, ... Nature Communications 12 (1), 7285, 2021 | 48 | 2021 |
| Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy A Nenov, A Giussani, J Segarra-Martí, VK Jaiswal, I Rivalta, G Cerullo, ... The Journal of chemical physics 142 (21), 2015 | 48 | 2015 |
| Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations A Nenov, J Segarra-Martí, A Giussani, I Conti, I Rivalta, E Dumont, ... Faraday discussions 177, 345-362, 2015 | 35 | 2015 |
| Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates J Segarra-Martí, VK Jaiswal, AJ Pepino, A Giussani, A Nenov, S Mukamel, ... Faraday discussions 207, 233-250, 2018 | 23 | 2018 |
| First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases VK Jaiswal, J Segarra-Martí, M Marazzi, E Zvereva, X Assfeld, A Monari, ... Physical Chemistry Chemical Physics 22 (27), 15496-15508, 2020 | 18 | 2020 |
| Environment-driven coherent population transfer governs the ultrafast photophysics of tryptophan VK Jaiswal, P Kabacinski, BE Nogueira de Faria, M Gentile, AM de Paula, ... Journal of the American Chemical Society 144 (28), 12884-12892, 2022 | 13 | 2022 |
| Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives P Kabaciński, M Romanelli, E Ponkkonen, VK Jaiswal, T Carell, ... The journal of physical chemistry letters 12 (45), 11070-11077, 2021 | 8 | 2021 |
| Ultrafast photochemistry and electron-diffraction spectra in n->(3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level VK Jaiswal, F Montorsi, F Aleotti, F Segatta, D Keefer, S Mukamel, ... arXiv preprint arXiv:2402.09873, 2024 | 2 | 2024 |
| Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA VK Jaiswal, M Taddei, DR Nascimento, M Garavelli, I Conti, A Nenov Photochemistry and Photobiology, 2024 | 1 | 2024 |
| Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments D Avagliano, I Conti, MMT El-Tahawy, VK Jaiswal, A Nenov, M Garavelli Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 1-1, 2023 | 1 | 2023 |
| Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state VK Jaiswal, D Aranda Ruiz, V Petropoulos, P Kabaciński, F Montorsi, ... Nature Communications 15 (1), 4900, 2024 | | 2024 |
| SOLVENT DRIVEN COHERENT POPULATION TRANSFER IN TRYPTOPHAN VK Jaiswal International Symposium on Molecular Spectroscopy, 2022 | | 2022 |
| Modelling UV response of biomolecules: from electronic structure to ab-initio dynamics. VK Jaiswal alma, 2022 | | 2022 |
| Tracking Conical Intersection Dynamics Of Tryptophan With Sub-20-fs UV Pulses P Kabacinski, VK Jaiswal, R Borrego-Varillas, BEN de Faria, MG Gentile, ... 2021 Conference on Lasers and Electro-Optics Europe & European Quantum …, 2021 | | 2021 |
| Toward the Accurate Simulation of Two-Dimensional Electronic Spectra A Giussani, A Nenov, J Segarra-Martí, VK Jaiswal, I Rivalta, E Dumont, ... 70th International Symposium on Molecular Spectroscopy, TI08, 2015 | | 2015 |
| Supplementary Information for Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations A Nenov, J Segarra-Martí, A Giussani, I Conti, I Rivalta, E Dumont, ... | | |
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", Bologna在 unibo.it 的电子邮件经过验证
