| TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ... The Journal of Chemical Physics 152 (18), 184107, 2020 | 753 | 2020 |
| Model Hamiltonian Analysis of Singlet Fission from First Principles SM Parker, T Seideman, MA Ratner, T Shiozaki The Journal of Physical Chemistry C 118 (24), 12700-12705, 2014 | 101 | 2014 |
| Mechanism of photocatalytic water oxidation on small TiO 2 nanoparticles M Muuronen, SM Parker, E Berardo, A Le, MA Zwijnenburg, F Furche Chemical Science 8 (3), 2179-2183, 2017 | 68 | 2017 |
| Quadratic response properties from TDDFT: trials and tribulations SM Parker, D Rappoport, F Furche Journal of chemical theory and computation 14 (2), 807-819, 2018 | 57 | 2018 |
| Communication: Active-space decomposition for molecular dimers SM Parker, T Seideman, MA Ratner, T Shiozaki The Journal of chemical physics 139 (2), 021108, 2013 | 56 | 2013 |
| Scalable synthesis and characterization of multilayer γ-graphyne, new carbon crystals with a small direct band gap VG Desyatkin, WB Martin, AE Aliev, NE Chapman, AF Fonseca, ... Journal of the American Chemical Society 144 (39), 17999-18008, 2022 | 54 | 2022 |
| Communication: Active space decomposition with multiple sites: Density matrix renormalization group algorithm SM Parker, T Shiozaki The Journal of Chemical Physics 141 (21), 211102, 2014 | 46 | 2014 |
| Turbomole: Today and tomorrow YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ... Journal of Chemical Theory and Computation 19 (20), 6859-6890, 2023 | 45 | 2023 |
| Coherent control of molecular torsion SM Parker, MA Ratner, T Seideman The Journal of chemical physics 135 (22), 224301, 2011 | 43 | 2011 |
| Expanding the Scope of RNA Metabolic Labeling with Vinyl Nucleosides and Inverse Electron-Demand Diels–Alder Chemistry M Kubota, S Nainar, SM Parker, W England, F Furche, RC Spitale ACS chemical biology 14 (8), 1698-1707, 2019 | 41 | 2019 |
| Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation SM Parker, S Roy, F Furche Physical Chemistry Chemical Physics 21 (35), 18999-19010, 2019 | 38 | 2019 |
| Unphysical divergences in response theory SM Parker, S Roy, F Furche The Journal of Chemical Physics 145 (13), 134105, 2016 | 36 | 2016 |
| Quasi-diabatic States from Active Space Decomposition SM Parker, T Shiozaki Journal of Chemical Theory and Computation 10 (9), 3738-3744, 2014 | 31 | 2014 |
| Molecular junctions: can pulling influence optical controllability? SM Parker, M Smeu, I Franco, MA Ratner, T Seideman Nano letters 14 (8), 4587-4591, 2014 | 26 | 2014 |
| Olefin Hydrosilylation Catalyzed by a Bis-N-Heterocyclic Carbene Rhodium Complex. A Density Functional Theory Study Y Wu, VA Karttunen, S Parker, A Genest, N Rösch Organometallics 32 (8), 2363-2372, 2013 | 22 | 2013 |
| Simulating strong field control of axial chirality using optimal control theory SM Parker, MA Ratner, T Seideman Molecular Physics 110 (15-16), 1941-1952, 2012 | 22 | 2012 |
| Orbital Optimization in the Active Space Decomposition Model I Kim, SM Parker, T Shiozaki Journal of chemical theory and computation 11 (8), 3636-3642, 2015 | 18 | 2015 |
| Tuning the Properties of Azadipyrromethene-Based Near-Infrared Dyes Using Intramolecular BO Chelation and Peripheral Substitutions JC Jimenez, Z Zhou, AL Rheingold, SM Parker, G Sauvé Inorganic Chemistry 60 (17), 13320-13331, 2021 | 14 | 2021 |
| Mutually Orthogonal Bioconjugation of Vinyl Nucleosides for RNA Metabolic Labeling M Gupta, M Singha, DB Rasale, Z Zhou, S Bhandari, S Beasley, J Sakr, ... Organic Letters 23 (18), 7183-7187, 2021 | 10 | 2021 |
| Response Theory and Molecular Properties SM Parker, F Furche Frontiers of Quantum Chemistry, 69-86, 2018 | 8 | 2018 |
Filipp FurcheProfessor of Chemistry, University of California, IrvineVerified email at uci.edu
