Sebastian P. Sitkiewicz

Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition

Alfonso Saiz‐Lopez, Sebastian P. Sitkiewicz, Daniel Roca‐Sanjuán et al. · Nature Communications · 2018 · 175 citations · Full text

Natural Sciences, Earth Sciences, Environmental Sciences +16

Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

Laurie Lescos, Sebastian P. Sitkiewicz, Pierre Beaujean et al. · Physical Chemistry Chemical Physics · 2020 · 104 citations · Full text

Natural Sciences, Chemistry, Physics +17

Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process

Alfonso Saiz‐Lopez, A. Ulises Acuña, Tarek Trabelsi et al. · Journal of the American Chemical Society · 2019 · 79 citations · Full text

Natural Sciences, Chemistry, Environmental Sciences +16

Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations

Marta Chołuj, Md. Mehboob Alam, Maarten T. P. Beerepoot et al. · Journal of Chemical Theory and Computation · 2022 · 76 citations · Full text

Natural Sciences, Chemistry, Physics +15

A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities

Pau Besalú‐Sala, Sebastian P. Sitkiewicz, Pedro Salvador et al. · Physical Chemistry Chemical Physics · 2020 · 42 citations

Natural Sciences, Chemistry, Physics +10