Part of the Physical Chemistry Commons

Works in Physical Chemistry

2023

Metals and Metal Complexes in Diseases with a Focus on COVID-19: Facts and Opinions, Agnieszka Ścibior, Manuel Aureliano, Alvin A. Holder, Juan Llopis
Chemistry & Biochemistry Faculty Publications

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Infrared Spectra of Small Radicals for Exoplanetary Spectroscopy: OH, NH, CN, and CH: The State of Current Knowledge, Svatopluk Civiš, Adam Pastorek, Martin Ferus, Sergei N. Yurchenko, Noor-Ines Boudjema
Chemistry & Biochemistry Faculty Publications

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Outstanding Advantages, Current Drawbacks, and Significant Recent Developments in Mechanochemistry: A Perspective View, Silvina Pagola
Chemistry & Biochemistry Faculty Publications

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More on the Demons of Thermodynamics, Daniel P. Sheehan, Garret Moddel, James W. Lee
Chemistry & Biochemistry Faculty Publications

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2022

NRLMSIS 2.1: An Empirical Model of Nitric Oxide Incorporated Into MSIS, J. T. Emmert, M. Jones Jr., D. E. Siskind, D. P. Drob, J. M. Picone, M. H. Stevens, S. M. Bailey, S. Bender, P. F. Bernath, B. Funke, M. E. Hervig, K. Pérot
Chemistry & Biochemistry Faculty Publications

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S-Type Stars: LaO Line List for the B²Σ⁺-X²Σ⁺ Band System, P. F. Bernath, Randika Dodangodage, J. Liévin
Chemistry & Biochemistry Faculty Publications

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Broadband Dielectric Spectroscopic Detection of Aliphatic Alcohol Vapors With Surface-Mounted HKUST-1 MOFs as Sensing Media, Papa K. Amoah, Zeinab Mohammed Hassan, Rhonda R. Franklin, Helmut Baumgart, Engelbert Redel, Yaw S. Obeng
Electrical & Computer Engineering Faculty Publications

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Visible Opacity of M Dwarfs and Hot Jupiters: The TiO B³Π-X³Δ Band System, W. Doug Cameron, Peter Bernath
Chemistry & Biochemistry Faculty Publications

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2021

Environmental Modifications of Atomic Properties: The Ground and 1s2p Excited States of Compressed Helium, N. C. Pyper, T. C. Naginey, Colm T. Whelan
Physics Faculty Publications

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Energy Renewal: Isothermal Utilization of Environmental Heat Energy with Asymmetric Structures, James Weifu Lee
Chemistry & Biochemistry Faculty Publications

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Mitochondrial Energetics with Transmembrane Electrostatically Localized Protons: Do We Have a Thermotrophic Feature?, James Weifu Lee
Chemistry & Biochemistry Faculty Publications

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Fluid Model of Plasma-Liquid Interaction: The Effect of Interfacial Boundary Conditions and Henry's Law Constants, Yifan Liu, Dingxin Liu, Jishen Zhang, Bowen Sun, Santu Luo, Hao Zhang, Li Guo, Mingzhe Rong, Michael G. Kong
Bioelectrics Publications

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Carbon Dioxide And Particulate Matter Concentration on Hampton Roads Air Quality, Gregory Hubbard
OUR Journal: ODU Undergraduate Research Journal

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2020

Recent Developments in the PySCF Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. McClain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
University Administration Publications

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2019

Recent Trends in Stratospheric Chlorine From Very Short‐Lived Substances, Ryan Hossaini, Elliot Atlas, Sandip S. Dhomse, Martyn P. Chipperfield, Peter F. Bernath, Anton M. Fernando, Jens Mühle, Amber A. Leeson, Stephen A. Montzka, Wuhu Feng
Chemistry & Biochemistry Faculty Publications

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ExoMol Line List - XXXIV. A Rovibrational Line List for Phosphinidene (PH) In Its X³Σ¯ and a¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Chemistry & Biochemistry Faculty Publications

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Atlas of Experimental and Theoretical High Temperature Methane Cross Sections from T = 295 to 1000K in the Near-Infrared, Andy Wong, Peter F. Bernath, Michael Rey, Andrei V. Nikitin, Vladimir G. Tyuterev
Chemistry & Biochemistry Faculty Publications

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2018

Computational Investigation of Energetic Materials: Influence of Intramolecular and Intermolecular Interactions on Sensitivity, Ashley Lauren Shoaf
Chemistry & Biochemistry Theses & Dissertations

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2017

High Resolution Spectra of Carbon Monoxide, Propane and Ammonia for Atmospheric Remote Sensing, Christopher Andrew Beale
OES Theses and Dissertations

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Improving Cavity Enhanced Spectroscopy of Molecular Ions in the Mid-Infrared With Up-Conversion Detection and Brewster-Plate Spoilers, Charles R. Markus, Adam J. Perry, James N. Hodges, Benjamin J. McCall
Chemistry & Biochemistry Faculty Publications

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Enhancement of the Physicochemical Properties of Pt(dien)(nucleobase) (2+) for HIVNCp7 Targeting, S. D. Tsotsoros, P. B. Lutz, A. G. Daniel, E. J. Peterson, R. E. F. De Paiva, E. Rivera, Y. Qu, C. A. Bayse, N. P. Farrell
Chemistry & Biochemistry Faculty Publications

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2016

Preface-JES Focus Issue on Electrolysis for Increased Renewable Energy Penetration, B. Pivovar, M. Carmo, K. Ayers, X. Zhang, J. O'Brien
Mechanical & Aerospace Engineering Faculty Publications

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Study of Infrared Emission Spectroscopy for the B 1Δg- A 1Πu and B ′1Σg +- A 1Πu Systems of C2, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang
Chemistry & Biochemistry Faculty Publications

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Intercomparison and Evaluation of Satellite Peroxyacetyl Nitrate Observations in the Upper Troposphere-Lower Stratosphere, Richard J. Pope, Nigel A. D. Richards, Martyn P. Chipperfield, David P. Moore, Sarah A. Monks, Stephen R. Arnold, Norbert Glatthor, Michael Kiefer, Tom J. Breider, Jeremy J. Harrison, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications

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2015

Validation of the Global Distribution of CO2 Volume Mixing Ratio in the Mesosphere and Lower Thermosphere from SABER, L. Rezac, Y. Jian, J. Yue, J. M. Russell III, A. Kutepov, R. Garcia, K. Walker, P. Bernath
Chemistry & Biochemistry Faculty Publications

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Energy-Efficient Computational Chemistry: Comparison of x86 and ARM Systems, Kristopher Keipert, Gaurav Mitra, Vaibhav Sunriyal, Sarom S. Leang, Masha Sosonkina, Alistair P. Rendell, Mark S. Gordon
Computational Modeling & Simulation Engineering Faculty Publications

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Simulation of Energetic Particle Precipitation Effects During the 2003-2004 Arctic Winter, C. E. Randall, V. L. Harvey, L. A. Holt, D. R. Marsh, D. Kinnison, B. Funke, P. F. Bernath
Chemistry & Biochemistry Faculty Publications

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Growth in Stratospheric Chlorine from Short-Lived Chemicals not Controlled by the Montreal Protocol, R. Hossaoni, M. P. Chipperfield, A. Saiz-Lopez, J. J. Harrison, R. von Glasow, R. Sommariva, E. Atlas, M. Navarro, S. A. Montzka, W. Feng, P. F. Bernath
Chemistry & Biochemistry Faculty Publications

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Simultaneous Analysis of the Ballik-Ramsay and Phillips Systems of C2 and Observation of Forbidden Transitions Between Singlet and Triplet States, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang
Chemistry & Biochemistry Faculty Publications

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Note: Improved Line Strengths of Rovibrational and Rotational Transitions Within the X3Σ⁻ Ground State of NH, James S.A. Brooke, Peter F. Bernath, Colin M. Western
Chemistry & Biochemistry Faculty Publications

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2014

Comparison of Upper Tropospheric Carbon Monoxide from MOPITT, ACE-FTS, and HIPPO-QCLS, Sara Martínez-Alonzo, Merritt N. Deeter, Helen M. Worden, John C. Gille, Louisa K. Emmons, Laura L. Pan, Mijeong Park, Gloria L. Manney, Peter F. Bernath, Chris D. Boone
Chemistry & Biochemistry Faculty Publications

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Line Lists for the A2Π-X 2Σ+ (Red) and B2Σ+-X 2Σ+ (Violet) Systems of CN, 13C14N, and 12C15N, and Application to AstronomicalSpectra, Christopher Sneden, Sara Lucatello, Ram S. Ram, James S. A. Brooke, Peter Bernath
Chemistry & Biochemistry Faculty Publications

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Recommended Isolated-Line Profile for Representing High-Resolution Spectroscopic Transitions (IUPAC Technical Report), Jonathan Tennyson, Peter F. Bernath, Alain Campargue, Attila G. Császár, Ludovic Daumont, Robert R. Gamache, Joseph T. Hodges, Daniel Lisak, Olga V. Naumenko, Laurence S. Rothman
Chemistry & Biochemistry Faculty Publications

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Satellite Observations of Stratospheric Carbonyl Fluoride, J. J. Harrison, M. P. Chipperfield, A. Dudhia, S. Cai, S. Dhomse, C. D. Boone, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications

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2013

The Magnesium Isotopologues of MgH in the A2Π-X 2Σ+ System, Kenneth H. Hinkle, Lloyd Wallace, Ram S. Ram, Peter F. Bernath, Christopher Sneden, Sara Lucatello
Chemistry & Biochemistry Faculty Publications

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Novel Algorithms and Instrumentation for Vibrational Spectroscopic Methods of Analysis, Mohamed F. Abdelkader
Chemistry & Biochemistry Theses & Dissertations

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Brust-Schiffrin Synthesis of Catalytic Bipodal PdPt Nanoparticles with Some Mechanistic Insights, Sangbum Han, Vara P. Sheela, Wei Cao, Balasubramanian Ramjee
Applied Research Center Publications

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Ultrasensitive Analysis of Binding Affinity of HIV Receptor and Neutralizing Antibodies Using Solution-Phase Electrochemiluminescence Assay, Xiao-Hong Nancy Xu, Zhaoyang Wen, William J. Brownlow
Chemistry & Biochemistry Faculty Publications

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The Relation Between Atmospheric Humidity and Temperature Trends for Stratospheric Water, S. Fueglistaler, Y. S. Liu, T. J. Flannaghan, P. H. Haynes, D. P. Dee, W. J. Read, E. E. Remsberg, L. W. Thomason, D. F. Hurst, J. R. Lanzante, P. F. Bernath
Chemistry & Biochemistry Faculty Publications

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Hydrocarbons in the Upper Troposphere and Lower Stratosphere Observed from ACE-FTS and Comparisons with WACCM, Mijeong Park, William J. Randel, Douglas E. Kinnison, Louisa K. Emmons, Peter F. Bernath, Kaley A. Walker, Chris D. Boone, Nathaniel J. Livesey
Chemistry & Biochemistry Faculty Publications

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2011

Bioinformatics, Thermodynamics and Kinetics Analysis of an All Alpha Helical Protein with a Gree-Key Topology, Hai Li
Chemistry & Biochemistry Theses & Dissertations

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Nonuniformity in Lattice Contraction of Bismuth Nanoclusters Heated Near Its Melting Point, A. Esmail, M. Abdel-Fattah, Hani E. Elsayed-Ali
Electrical & Computer Engineering Faculty Publications

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Precise Control of Highly Ordered Arrays of Nested Semiconductor/Metal Nanotubes, Diefeng Gu, Helmut Baumgart, Kandabara Tapily, Pragya Shrestha, Gon Namkoong, Xianyu Ao, Frank Müller
Electrical & Computer Engineering Faculty Publications

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2008

Activation Energy of Surface Diffusion and Terrace Width Dynamics During the Growth of in (4×3) on Si (100) - (2×1) by Femtosecond Pulsed Laser Deposition, M. A. Hafez, H. E. Elsayed-Ali
Electrical & Computer Engineering Faculty Publications

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2007

Formation of In- (2×1) and in Islands on Si (100) - (2×1) by Femtosecond Pulsed Laser Deposition, M. A. Hafez, H. E. Elsayed-Ali
Electrical & Computer Engineering Faculty Publications

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2006

Growth of Ge Quantum Dots on Si(100)-(2×1) by Pulsed Laser Deposition, M. S. Hegazy, H. E. Elsayed-Ali
Electrical & Computer Engineering Faculty Publications

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2005

Predicted Properties of Microhollow Cathode Discharges in Xenon, J. P. Boeuf, L. C. Pitchford, K. H. Schoenbach
Bioelectrics Publications

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Melting and Solidification Study of Indium and Bismuth Nanocrystals Using Reflection High-Energy Electron Diffraction, Mohamed K. Zayed
Electrical & Computer Engineering Theses & Dissertations

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2004

Chemical Vapor Deposited Diamond Films for Self-Referencing Fiber Optic Raman Probes [Erratum], Sacharia Albin, Jainli Zheng, Bing Xiao, John B. Cooper, Robert B. Jeffers, Sonia Antony
Chemistry & Biochemistry Faculty Publications

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2003

Measurement of Proton Transfer Reaction Rates in a Microwave Cavity Discharge Flowing Afterglow, George M. Brooke IV
Physics Theses & Dissertations

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Comparison Between the Ultraviolet Emission From Pulsed Microhollow Cathode Discharges in Xenon and Argon, Isfried Petzenhauser, Leopold D. Biborosch, Uwe Ernst, Klaus Frank, Karl H. Schoenbach
Bioelectrics Publications

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Argon Eximer Emission From High-Pressure Microdischarges In Mental Capillaries, R. Mohan Sankaran, Konstantinos P. Giapis, Mohamed Moselhy, Karl H. Schoenbach
Bioelectrics Publications

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Chemical Vapor Deposited Diamond Films for Self-Referencing Fiber Optic Raman Probes, Sacharia Albin, Jianli Zheng, Bing Xiao, John B. Cooper, Robert B. Jeffers, Sonia Antony
Chemistry & Biochemistry Faculty Publications

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2001

Boron-Doped Homoepitaxial Diamond (100) Film Investigated by Scanning Tunneling Microscopy, Bing Xiao, Weihai Fu, Sacharia Albin, Jason Moulton, John Cooper
Electrical & Computer Engineering Faculty Publications

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STM and Electrochemical Investigation of Homoepitaxial Boron-Doped CVD Diamond Films, John B. Cooper, Jason A. Moulton, Sacharia Albin, Bing Xiao
Chemistry & Biochemistry Faculty Publications

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2000

Microhollow Cathode Discharge Excimer Lamps, Karl H. Schoenbach, Ahmed El-Habachi, Mohamed M. Moselhy, Wenhui Shi, Robert H. Stark
Bioelectrics Publications

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1997

Characterization of Iron Oxides and Atmospheric Corrosion of Steel, Sei Jin Oh
Physics Theses & Dissertations

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1993

Absolute-Convective Instabilities and Their Associated Wave Packets in a Compressible Reacting Mixing Layer, F. Q. Hu, T. L. Jackson, D. G. Lasseigne, C. E. Grosch
Mathematics & Statistics Faculty Publications

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1991

Hydrogen Sulfide and Radon in and Over the Western North Atlantic Ocean, T. W. Andreae, Gregory A. Cutter, N. Hussain, J. Radford-Knoery, M. O. Andreae
OES Faculty Publications

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Role of Surface Morphology in Wafer Bonding, W.P. Maszara, B.L. Jiang, A. Yamada, G.A. Rozgonyi, H. Baumgart, A.J.R. de Kock
Electrical & Computer Engineering Faculty Publications

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1990

Evaluation of the Function Exp (X2) Erfc (X) to Higher Precisions for Higher-Order Derivative Polarography of CE-Type Electrode Process, Myung-Hoon Kim, Veriti P. Smith, Tae-Kee Hong
Chemistry & Biochemistry Faculty Publications

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1986

Nonadiabatic Theory of Fine-Structure Branching Cross Sections for Na-He, Na-Ne, and Na-Ar Optical Collisions, Linda L. Vahala, P. S. Julienne, Mark D. Havey
Electrical & Computer Engineering Faculty Publications

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