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Publications by Theresa L. Windus

Large-Scale MP2 Calculations on the Blue Gene Architecture Using the Fragment Molecular Orbital Method

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2011English

Roles of Acetone and Diacetone Alcohol in Coordination and Dissociation Reactions of Uranyl Complexes

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2012English

Escape of Anions From Geminate Recombination in THF Due to Charge Delocalization

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Evaluation of Coarse-Grained Mapping Schemes for Polysaccharide Chains in Cellulose

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Comparison of S-Adsorption on (111) and (100) Facets of Cu Nanoclusters

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification of the LUMO Concept

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2015English

Cerium-Catalyzed Hydrosilylation of Acrylates to Give Α-Silyl Esters

Angewandte Chemie
2016English

Structural Trends in Silicon Atranes

Journal of the American Chemical Society
BiochemistryColloidCatalysisChemistrySurface Chemistry
1995English

Basis Set Exchange: A Community Database for Computational Sciences

Journal of Chemical Information and Modeling
Computer Science ApplicationsChemistryChemical EngineeringLibraryInformation Sciences
2007English

O(3P) + C2H4Potential Energy Surface: Study at the Multireference Level†

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2009English

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