CrossRef Open Access 2022 3 sitasi

Theoretical prediction of pH-dependent electronic spectra in aqueous solution: A combinational application of QM/MM calculations and constant-pH simulations with configuration-selection scheme

Carlos Bistafa Yukichi Kitamura Masataka Nagaoka

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Carlos Bistafa

Yukichi Kitamura

Masataka Nagaoka

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Bistafa, C., Kitamura, Y., Nagaoka, M. (2022). Theoretical prediction of pH-dependent electronic spectra in aqueous solution: A combinational application of QM/MM calculations and constant-pH simulations with configuration-selection scheme. https://doi.org/10.1016/j.cplett.2022.139624

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Informasi Jurnal

Tahun Terbit: 2022
Bahasa: en
Total Sitasi: 3×
Sumber Database: CrossRef
DOI: 10.1016/j.cplett.2022.139624
Akses: Open Access ✓