Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Gallarati, Simone, Fabregat, Raimon, Laplaza, Rubén, Bhattacharjee, Sinjini, Wodrich, Matthew D, Corminboeuf, Clemence
Published in Chemical science (Cambridge) (03.04.2021)
Published in Chemical science (Cambridge) (03.04.2021)
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Journal Article
Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches
Bhattacharjee, Sinjini, Isegawa, Miho, Garcia-Ratés, Miquel, Neese, Frank, Pantazis, Dimitrios A
Published in Journal of chemical theory and computation (08.03.2022)
Published in Journal of chemical theory and computation (08.03.2022)
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Journal Article
Triplet States in the Reaction Center of Oxygenic Photosynthesis
Bhattacharjee, Sinjini, Neese, Frank, Pantazis, Dimitrios A.
Published in Biochimica et biophysica acta. Bioenergetics (01.09.2022)
Published in Biochimica et biophysica acta. Bioenergetics (01.09.2022)
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Journal Article
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II
Ansari, Mursaleem, Bhattacharjee, Sinjini, Pantazis, Dimitrios A.
Published in Journal of the American Chemical Society (10.04.2024)
Published in Journal of the American Chemical Society (10.04.2024)
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Journal Article
Triplet states in the reaction center of Photosystem II
Bhattacharjee, Sinjini, Neese, Frank, Pantazis, Dimitrios A
Published in Chemical science (Cambridge) (13.09.2023)
Published in Chemical science (Cambridge) (13.09.2023)
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Journal Article
Optical controlled non-equilibrium processes: effect of excitation wavelength
Bhattacharjee, Sinjini, Patra, Aniket, Pathak, Arup Kumar, Samanta, Alok Kumar
Published in Physica scripta (01.08.2019)
Published in Physica scripta (01.08.2019)
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