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Generalized Quantum Master Equations for Simulating Electronic Dynamics in Molecular Systems

Lenn, Kristina M

2023

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Insights into Active Site Structures for Pd-Based Bimetallic Heterogeneous Catalysts

Ball, Madelyn R. B

2019

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Photonics of Graphene and Other Two-Dimensional Materials Heterostructures

Chaves, André Jorge Carvalho

2018

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Discovering the Molecular Origins of Solid-Liquid Friction at ICE-Ih/Water Interfaces

Louden, Patrick B

2018

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Polarizable Force Field Development, and Applications to Conformational Sampling and Free Energy Calculation

Wang, Zhi

2018

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Excited State Molecular Dynamics: Beyond the Born-Oppenheimer Approximation

Lingerfelt, David B

2017

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Optical and Chemical Responses of Nanostructured Films

Navarrete, Jose

2017

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Toward simulating complex systems with quantum effects

Kenion-Hanrath, Rachel Lynn

2017

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Spectroscopic Characterization of Binuclear Non-heme Iron and Mn/Fe Active Sites: Correlation of Geometric and Electronic Structure with Reactivity

Kwak, Yeonju

2013

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Secondary Structure of Bacteriophage T4 Gene 60 mRNA: Implications for Translational Bypassing

Todd, Gabrielle C

2012

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Aromatic hydroxylation at a non-heme iron center: Insights into the nature of the metal-based oxidant

Makhlynets, Olga V

2011

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Microwave Assisated Extraction of Roots and Rhizomes of Picrorhiza Kurroa and Development of Sensitive Method for Estimation of Kutkoside and Picroside I in Extracts and Serum

Devi, Lisam Victoria

2009

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Insight into copper uptake from the three-dimensional structure of the human copper transporter

De Feo, Christopher Joseph

2008

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Spectroscopy and dynamics of Rydberg states of NO in static and ramped electric fields

Patel, Rakhee

2007

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NMR of Crystalline Inorganic-Organic Hybrid Materials: Methods and Applications

Mafra, Luís Miguel Monteiro

2006

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Enhancing NMR sensitivity in large and small scale flow systems

Pierce, Kimberly Lorraine

2005

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Clay -tethered thermoplastic polyurethane nanocomposites by bulk polymerization methods

Pattanayak, Asim

2005

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Análogos Do Psolareno Com Um Núcleo De Dibenzofurano, Xantona Ou Carbazole: Síntese e Aplicações

Oliveira, Ana Maria Antunes Gonçalves de

2005

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Applications of electronic structure theory in the study of molecular processes

Zhang, Peng

2005

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Part I: Synthesis and characterization of sulfur-bridged oligothiophenes. Part II. Exploratory syntheses toward dioxadiazinyl radicals

Myles, Daniel John Talbot

2005

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Full-dimensional quantum studies of the energetics and dynamics of hydronium ions, hydroxyl ion[water] and protonated water dimers

Huang, Xinchuan

2004

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Collision -induced dissociations and association reactions using guided ion beam tandem mass spectrometer application of statistical theory

Koizumi, Hideya

2004

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A systematic approach to the development of fast path integral techniques

Predescu, Cristian

2004

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The design of cyanometallate cages for alkali ion separation

Kuhlman, Matthew Lee

2004

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Distal heme pocket interactions and analysis of cysteine sites in hemoglobins cyanide complexes from Lucina pectinata

Ramos Lorenzo, Johanna

2003

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Generalized Quantum Master Equations for Simulating Electronic Dynamics in Molecular Systems

Insights into Active Site Structures for Pd-Based Bimetallic Heterogeneous Catalysts

Photonics of Graphene and Other Two-Dimensional Materials Heterostructures

Discovering the Molecular Origins of Solid-Liquid Friction at ICE-Ih/Water Interfaces

Polarizable Force Field Development, and Applications to Conformational Sampling and Free Energy Calculation

Excited State Molecular Dynamics: Beyond the Born-Oppenheimer Approximation

Optical and Chemical Responses of Nanostructured Films

Toward simulating complex systems with quantum effects

Spectroscopic Characterization of Binuclear Non-heme Iron and Mn/Fe Active Sites: Correlation of Geometric and Electronic Structure with Reactivity

Secondary Structure of Bacteriophage T4 Gene 60 mRNA: Implications for Translational Bypassing

Aromatic hydroxylation at a non-heme iron center: Insights into the nature of the metal-based oxidant

Microwave Assisated Extraction of Roots and Rhizomes of Picrorhiza Kurroa and Development of Sensitive Method for Estimation of Kutkoside and Picroside I in Extracts and Serum

Insight into copper uptake from the three-dimensional structure of the human copper transporter

Spectroscopy and dynamics of Rydberg states of NO in static and ramped electric fields

NMR of Crystalline Inorganic-Organic Hybrid Materials: Methods and Applications

Enhancing NMR sensitivity in large and small scale flow systems

Clay -tethered thermoplastic polyurethane nanocomposites by bulk polymerization methods

Análogos Do Psolareno Com Um Núcleo De Dibenzofurano, Xantona Ou Carbazole: Síntese e Aplicações

Applications of electronic structure theory in the study of molecular processes

Part I: Synthesis and characterization of sulfur-bridged oligothiophenes. Part II. Exploratory syntheses toward dioxadiazinyl radicals

Full-dimensional quantum studies of the energetics and dynamics of hydronium ions, hydroxyl ion[water] and protonated water dimers

Collision -induced dissociations and association reactions using guided ion beam tandem mass spectrometer application of statistical theory

A systematic approach to the development of fast path integral techniques

The design of cyanometallate cages for alkali ion separation

Distal heme pocket interactions and analysis of cysteine sites in hemoglobins cyanide complexes from Lucina pectinata

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