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Advances in metal ion modeling

Advances in metal ion modeling

Li, Pengfei (Chemist)

Text (2016)

Part of Electronic Theses & Dissertations

Merging active-space and renormalized coupled-cluster methods via the CC(P;Q) formalism, with applications to chemical reaction profiles and singlet-triplet gaps

Merging active-space and renormalized coupled-cluster methods via the CC(P;Q) formalism, with applications to chemical reaction profiles and singlet-triplet gaps

Bauman, Nicholas P.

Text (2016)

Part of Electronic Theses & Dissertations

A novel algorithm of solvation free energy calculation : the KECSA-movable type implicit solvation model (KMTISM)

A novel algorithm of solvation free energy calculation : the KECSA-movable type implicit solvation model (KMTISM)

Wang, Ting (M.S. in Chemistry)

Text (2015)

Part of Electronic Theses & Dissertations