Xuebin Wang

Cluster Model Studies of Condensed Phase Phenomena

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Large-Scale EMSL Research

This proposal is a continuation of research under EMSL User Proposal #8592. This program is aimed at obtaining a microscopic understanding of solution chemistry and solvation of negatively charged…

Electronic Properties of Novel Small-Molecule Organic Acceptor Materials in Gas-Phase, Solution and Solid-Phase and in Donor/Acceptor Interface

Lead Institution

Colorado State University

Principal Investigator

Steven Strauss

Project type

Large-Scale EMSL Research

In this project, we will explore, for the first time, electronic properties of the newly discovered class of potent organic acceptors and their composites with various organic donors. Using state-of…

(emsl2566)Ionization Energy Calculations of Deoxyribonucleotides

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Erich Vorpagel

Project type

Capability Research

Gas-phase electron binding energies for 2'-deoxyribonucleoties have been measured using photodetachment photoelectron spectroscopy and electrospray ionization. Ion mobility experiments indicate…

Multiscale Modeling for Hydrogenases

Lead Institution

Texas A&M University

Principal Investigator

Michael Hall

Project type

Large-Scale EMSL Research

Hydrogen is a clean-burning fuel with high energy density and has become a target as one ecological-friendly fuel for the future. Hydrogenase proteins catalyze the reversible conversion of molecule…

Development of an electrospray photoelectron spectroscopy apparatus with a low temperature ion trap.

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Exploratory Research

We propose to develop an electrospray photodetachment apparatus with a low temperature ion trap. We have pioneered photoelectron spectroscopic studies of multiply charged anions and solution species…

Integrated Experimental and Computational Approach to Molecular Based Characterization of Aerosol Particle Formation

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Marat Valiev

The main focus of our project is to provide a comprehensive molecular level characterization of common multicomponent aerosol particles and gain fundamental understating of molecular specific effects…

Development of an Electrospray Photoelectron Spectroscopy Apparatus with a Low Temperature Ion Trap (Kay's BES-Surface Kinetics, PNNL Scope #16248)

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Exploratory Research

We propose to develop an electrospray photodetachment apparatus with a low temperature ion trap. We have pioneered photoelectron spectroscopic studies of multiply charged anions and solution species…

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using a recently developed low-temperature photoelectron spectrometer. The subjects include but not limited to,…

Investigation of the Electronic Structure of Fe-S Clusters

Lead Institution

Georgetown University

Principal Investigator

Toshiko Ichiye

Project type

Exploratory Research

In this proposal, we combine experimental studies and theoretical calculations to probe the electronic structure of Fe-S clusters and complexes, which are important active centers in Fe-S proteins as…

Cluster Model Studies of Condensed Phase Phenomena

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

This program is focused on obtaining a microscopic understanding of solution chemistry and solvation of negatively charged ions using cluster models in the gas phase via combined low temperature…

Computational Chemistry Modeling of Main-Group and Transition-Metal Cluster Systems

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Exploratory Research

Main-group and transition-metal clusters are of great significance in the field of catalysis and nano-materials. In this user proposal, we will use ab initio and relativistic density functional…

Cluster Model Studies of Condensed Phase Chemical Physics

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

This program is focused on obtaining a microscopic understanding of solution chemistry and solvation of negatively charged ions using cluster models in the gas phase via combined low temperature…

Quantum Mechanical and Molecular Mechanical Methods for Iron-Sulfur Proteins

Lead Institution

Texas A&M University

Principal Investigator

Shuqiang Niu

Project type

Large-Scale EMSL Research

Iron-sulfur proteins are an important class of electron carriers and redox sites in a wide variety of electron transport and enzymatic processes, including photosynthesis, respiration, nitrogen…

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using a recently developed low-temperature photoelectron spectrometer. The subjects include but not limited to,…

Cluster Model Studies of Condensed Phase Phenomena Using Temperature-Controlled Photoelectron Spectroscopy

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

Project type

Exploratory Research

This program is aimed at obtaining a microscopic understanding of solution chemistry and solvation of negatively charged ions using cluster models in the gas phase. Our primary experimental technique…

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using a recently developed low-temperature photoelectron spectrometer. The subjects include but not limited to,…

Probing Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using a recently developed low-temperature photoelectron spectrometer. The subjects include but not limited to,…

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using a recently developed low-temperature photoelectron spectrometer. The subjects include but not limited to,…

Photoelectron Spectroscopy Studies of Structure-Property Relationships in Perfluoroalkylfullerene-Based Electron- Acceptor Materials for Organic Photovoltaic Active Layers

Lead Institution

Colorado State University

Principal Investigator

Steven Strauss

Project type

Exploratory Research

This project will focus on understanding of the fundamental relationships between molecular structures of perfluoroalkylated fullerenes (PFAFs) and their electronic properties in the gas-phase, in…

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer and Quantum Chemical Calculations

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using the home-made cryogenic and temperature-dependent photoelectron spectrometer in combination with ab initio…

Hydrogen Bond Networks

Lead Institution

University of Minnesota

Principal Investigator

Steven Kass

Project type

Exploratory Research

Nature employs hydrogen bonds to organize biomolecular structures and optimize the catalytic ability of enzymes. The effects of hydrogen bond networks are relatively unknown and will be explored by…

Investigation of 4Fe-4S cluster complexes with peptides as the terminl ligand

Lead Institution

Washington State University Tri-Cities

Principal Investigator

You-jun Fu

Fe-S proteins exist in all kinds of organisms and play critical roles as electron transfer agents, catalysts, or O2/Fe sensors. Small molecule analogue complexes have been studied extensively.To get…

Transition Metal Oxide Clusters - Electronic Structure and Chemical Bonding Using Photoelectron Spectroscopy (Wang's BES/Chemical Physics-Catalysis WBS0505 of Peden's BES-Chemical Transformations at Complex Interfaces, PNNL Scope #47319)

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Exploratory Research

This research is aimed at obtaining a microscopic understanding of defect structures on oxide surfaces and catalytic reaction mechanisms using cluster models. Gas phase clusters provide molecular…

Cluster Model Studies of Condensed Phase Phenomena at Well-Defined Conditions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

Project type

Large-Scale EMSL Research

This program is aimed at obtaining a microscopic understanding of solution chemistry and condensed phase phenomena using gas phase clusters as model systems.Our current focus is on the microsolvation…

Photoelectron Spectroscopic Studies of Complex Anion Solvation in the Gas Phase (Kay's BES-Surface Kinetics, PNNL Scope #16248)

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Exploratory Research

Hydration is important for the function of biomolecules. Gas phase studies of hydrated clusters provide a valuable means to obtain molecular level information about ionic solvation. We produce…

(emslcsd2)Investigation of electrostatic interactions and solvation effects in multiply charged anions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

Project type

Capability Research

We propose to use EMSL software and hardware (Molecular Science Computation Facility) to perform theoretical calculations of the binding, geometry and intramolecular electrostatic interactions in…

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

We propose to investigate solution phase species and chemistry in the gas phase using a recently developed low-temperature photoelectron spectrometer. The subjects include but not limited to,…

Large-Scale Synthesis of Monodisperse and Ultra-Small Metal Clusters

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Exploratory Research

A long-standing objective of cluster science is to identify and synthesize highly stable clusters, and to exploit the often unique properties of these small aggregates, either as stand-alone units,…

Electron-Acceptor Fullerene Materials for Organic Photovoltaics: Electronic Properties in Gas-Phase, Solution, Solid-Phase and in Donor/Acceptor Blends

Lead Institution

Colorado State University

Principal Investigator

Steven Strauss

Project type

Exploratory Research

This project will focus on understanding of the fundamental relationships between molecular structures of perfluoroalkylated fullerenes (PFAFs) and their electronic properties in the gas-phase, in…

Investigation of electronic structure of Fe-S clusters (emslcsd6)

Lead Institution

Texas A&M University

Principal Investigator

Shuqiang Niu

Project type

Capability Research

We propose to use EMSL software and hardware (Molecular Science Computation Facility) to perform theoretical calculations of the electronic structures of Fe-S clusters.Fe-S proteins are ubiquitous in…

Cluster Model Studies of Condensed Phase Phenomena

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

This is a request for continuing a previous program (proposal ID 44676) which was closed on September 30, 2012. This program is focused on obtaining a microscopic understanding of solution chemistry…

Probing the Electronic Structures of Atomic Clusters and Solution Phase Species in the Gas Phase

Lead Institution

Brown University

Principal Investigator

Lai-Sheng Wang

Project type

Large-Scale EMSL Research

This proposal is a continuation of research under EMSL User Proposal #1391a. Clusters provide intermediate molecular systems bridging the gap between atoms and condensed matter. Their finite and…

Cluster Model Studies of Condensed Phase Phenomena

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

This is a request for continuing a previous program (proposal ID 47711) which was closed on September 30, 2013. This program is focused on obtaining a microscopic understanding of solution chemistry…

EMSL Science Overview

Xuebin Wang

Projects

Cluster Model Studies of Condensed Phase Phenomena

Electronic Properties of Novel Small-Molecule Organic Acceptor Materials in Gas-Phase, Solution and Solid-Phase and in Donor/Acceptor Interface

(emsl2566)Ionization Energy Calculations of Deoxyribonucleotides

Multiscale Modeling for Hydrogenases

Development of an electrospray photoelectron spectroscopy apparatus with a low temperature ion trap.

Integrated Experimental and Computational Approach to Molecular Based Characterization of Aerosol Particle Formation

Development of an Electrospray Photoelectron Spectroscopy Apparatus with a Low Temperature Ion Trap (Kay's BES-Surface Kinetics, PNNL Scope #16248)

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Investigation of the Electronic Structure of Fe-S Clusters

Cluster Model Studies of Condensed Phase Phenomena

Computational Chemistry Modeling of Main-Group and Transition-Metal Cluster Systems

Cluster Model Studies of Condensed Phase Chemical Physics

Quantum Mechanical and Molecular Mechanical Methods for Iron-Sulfur Proteins

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Cluster Model Studies of Condensed Phase Phenomena Using Temperature-Controlled Photoelectron Spectroscopy

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Probing Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Photoelectron Spectroscopy Studies of Structure-Property Relationships in Perfluoroalkylfullerene-Based Electron- Acceptor Materials for Organic Photovoltaic Active Layers

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer and Quantum Chemical Calculations

Hydrogen Bond Networks

Investigation of 4Fe-4S cluster complexes with peptides as the terminl ligand

Transition Metal Oxide Clusters - Electronic Structure and Chemical Bonding Using Photoelectron Spectroscopy (Wang's BES/Chemical Physics-Catalysis WBS0505 of Peden's BES-Chemical Transformations at Complex Interfaces, PNNL Scope #47319)

Cluster Model Studies of Condensed Phase Phenomena at Well-Defined Conditions

Photoelectron Spectroscopic Studies of Complex Anion Solvation in the Gas Phase (Kay's BES-Surface Kinetics, PNNL Scope #16248)

(emslcsd2)Investigation of electrostatic interactions and solvation effects in multiply charged anions

Gas Phase Study of Solution Phase Species and Chemistry Using Variable Temperature Photoelectron Spectrometer

Large-Scale Synthesis of Monodisperse and Ultra-Small Metal Clusters

Electron-Acceptor Fullerene Materials for Organic Photovoltaics: Electronic Properties in Gas-Phase, Solution, Solid-Phase and in Donor/Acceptor Blends

Investigation of electronic structure of Fe-S clusters (emslcsd6)

Cluster Model Studies of Condensed Phase Phenomena

Probing the Electronic Structures of Atomic Clusters and Solution Phase Species in the Gas Phase

Cluster Model Studies of Condensed Phase Phenomena