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- 2024
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Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors
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- Contribution to journal › Article
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Hydrogen bonding in glassy trehalose-water system : Insights from density functional theory and molecular dynamics simulations
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- Contribution to journal › Article
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Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions
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- Contribution to journal › Article
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Wave packet dynamics and control in excited states of molecular nitrogen
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- Contribution to journal › Article
- 2023
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Tuning perovskite nanocrystal superlattices for superradiance in the presence of disorder
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- Contribution to journal › Article
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Development of an analytical exponential-6 equation of state through Monte Carlo simulations
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- Contribution to journal › Article
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Equilibrium melting probabilities of a DNA molecule with a defect : An exact solution of the Poland-Scheraga model
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- Contribution to journal › Article
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Characterizing the multi-dimensional reaction dynamics of dihalomethanes using XUV-induced Coulomb explosion imaging
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- Contribution to journal › Article
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An embedded cluster CASPT2 study of the Ce:YVO4 spectrum
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- Contribution to journal › Article
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First-principles study of luminescence and electronic properties of Ce-doped Y2SiO5
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- Contribution to journal › Article
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Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]− model employing state-of-the-art ab initio methods
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- Contribution to journal › Article
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Pulse overlap artifacts and double quantum coherence spectroscopy
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- Contribution to journal › Article
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Effects of flexibility in coarse-grained models for bovine serum albumin and immunoglobulin G
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- Contribution to journal › Article
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Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy
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- Contribution to journal › Article
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Non-Hermitian Hamiltonians for linear and nonlinear optical response : A model for plexcitons
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- Contribution to journal › Article
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Surfactant induced gelation of TEMPO-oxidized cellulose nanofibril dispersions probed using small angle neutron scattering
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- Contribution to journal › Article
- 2022
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Limitations of field-theory simulation for exploring phase separation: The role of repulsion in a lattice protein model
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- Contribution to journal › Article
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Energy transfer in multi-funnel systems quantitatively assessed by two-dimensional polarization imaging and single funnel approximation : From single molecules to ensembles
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- Contribution to journal › Article
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Beyond simple self-healing : How anisotropic nanogels adapt their shape to their environment
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- Contribution to journal › Article
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Dip-and-pull ambient pressure photoelectron spectroscopy as a spectroelectrochemistry tool for probing molecular redox processes
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- Contribution to journal › Article