Applying Generalized Variational Principles to Excited-State-Specific Complete Active Space Self-consistent Field Theory von Hanscam, Rebecca, Neuscamman, Eric

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Reaction Coordinate for Ice Crystallization on a Soft Surface von Lupi, Laura, Hanscam, Rebecca, Qiu, Yuqing, Molinero, Valeria

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Secondary structure analysis of peptides with relevance to iron–sulfur cluster nesting von Hanscam, Rebecca, Shepard, Eric M., Broderick, Joan B., Copié, Valérie, Szilagyi, Robert K.

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Natural selection based on coordination chemistry: computational assessment of [4Fe–4S]-maquettes with non-coded amino acids von Szilagyi, Robert K., Hanscam, Rebecca, Shepard, Eric M., McGlynn, Shawn E.

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Applying generalized variational principles to excited-state-specific complete active space self-consistent field theory von Hanscam, Rebecca, Neuscamman, Eric

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Applying generalized variational principles to excited-state-specific complete active space self-consistent field theory von Hanscam, Rebecca, Neuscamman, Eric

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