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Filtragem por: Palavra-chave computational chemistry

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

Palavra-chave:

force field, protein pka, and computational chemistry

O Criador:

Cvitkovic, John Peter

Advisor:

Kaminski, George A.

Editor:

Worcester Polytechnic Institute

Data Criada:

2019-04-24

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemistry & Biochemistry
Catalysis and Photocatalysis over TiO2 Surfaces Detailed from First Principles

Palavra-chave:

Catalysis, computational chemistry, and metal oxides

O Criador:

Garcia, Juan C

Advisor:

Deskins, N Aaron

Editor:

Worcester Polytechnic Institute

Data Criada:

2014-08-28

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemical Engineering