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Filtro per: Parola chiave computational chemistry

1. From All-Atom Molecular Mechanics to Coarse- Grained Lattice Models: Computational Approaches to Problems in Protein Biochemistry

Parola chiave:: force field, protein pka, and computational chemistry
Creatore:: Cvitkovic, John Peter
Advisor:: Kaminski, George A.
Editore:: Worcester Polytechnic Institute
data di creazione:: 2019-04-24
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemistry & Biochemistry

2. Catalysis and Photocatalysis over TiO2 Surfaces Detailed from First Principles

Parola chiave:: Catalysis, computational chemistry, and metal oxides
Creatore:: Garcia, Juan C
Advisor:: Deskins, N Aaron
Editore:: Worcester Polytechnic Institute
data di creazione:: 2014-08-28
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemical Engineering