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Articles 841 - 870 of 1828

Full-Text Articles in Chemistry

Phantoms In Science: Nietzsche's Nonobjectivity On Planck's Quanta, Donald Richard Dickerson Iii May 2019

Phantoms In Science: Nietzsche's Nonobjectivity On Planck's Quanta, Donald Richard Dickerson Iii

Undergraduate Theses

What does Maxwell Planck's concept of phantomness suggest about the epistemological basis of science and how might a Nietzschean critique reveal solution to the weaknesses revealed? With his solution to Kirchoff's equation, Maxwell Planck launched the paradigm of quantum physics. This same solution undermined much of current understandings of science versus pseudoscience. Using Nietzsche's perspectivism and other philosophical critiques, Planck's answer to blackbody radiation is used to highlight the troubles with phantom problems in science and how to try to direct science towards a more holistic and complete scientific approach.


An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal May 2019

An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal

Graduate Theses/Dissertations

Rigorous study of the speciation distribution of uranyl-chloride bearing solutions under hydrothermal conditions is important to understand the transport mechanism of uranium underground, which is of uttermost interest to parties studying the geological uranium deposits and those studying the possibilities of geological repositories for spent nuclear waste. I report an in-situ Raman spectroscopic study of the speciation distribution of aqueous uranyl-chloride complexes upto 500°C conducted using a HDAC as the high PT spectroscopic cell. The samples studied contained the species UO22+, UO2Cl+, UO2Cl20 and UO2Cl3- …


Application Of X-Ray Grating Interferometry To Polymer/Flame Retardant Blends In Additive Manufacturing, Omoefe Joy Kio May 2019

Application Of X-Ray Grating Interferometry To Polymer/Flame Retardant Blends In Additive Manufacturing, Omoefe Joy Kio

LSU Doctoral Dissertations

X-ray grating interferometry is a nondestructive tool for visualizing the internal structures of samples. Image contrast can be generated from the absorption of X-rays, the change in phase of the beam and small-angle X-ray scattering (dark-field). The attenuation and differential phase data obtained complement each other to give the internal composition of a material and large-scale structural information. The dark-field signal reveals sub-pixel structural detail usually invisible to the attenuation and phase probe, with the potential to highlight size distribution detail in a fashion faster than conventional small-angle scattering techniques. This work applies X-ray grating interferometry to the study of …


Intercomparison Of Small Unmanned Aircraft System (Suas) Measurements For Atmospheric Science During The Lapse-Rate Campaign, Lindsay Barbieri, Stephan T. Kral, Sean C. C. Bailey, Amy E. Frazier, Jamey D. Jacob, Joachim Reuder, David Brus, Phillip B. Chilson, Christopher Crick, Carrick Detweiler, Abhiram Doddi, Jack Elston, Hosein Foroutan, Javier González-Rocha, Brian R. Greene, Marcelo I. Guzman, Adam L. Houston, Ashraful Islam, Osku Kemppinen, Dale Lawrence, Elizabeth A. Pillar-Little, Shane D. Ross, Michael P. Sama, David G. Schmale Iii, Travis J. Schuyler, Ajay Shankar, Suzanne W. Smith, Sean Waugh, Cory Dixon, Steve Borenstein, Gijs De Boer May 2019

Intercomparison Of Small Unmanned Aircraft System (Suas) Measurements For Atmospheric Science During The Lapse-Rate Campaign, Lindsay Barbieri, Stephan T. Kral, Sean C. C. Bailey, Amy E. Frazier, Jamey D. Jacob, Joachim Reuder, David Brus, Phillip B. Chilson, Christopher Crick, Carrick Detweiler, Abhiram Doddi, Jack Elston, Hosein Foroutan, Javier González-Rocha, Brian R. Greene, Marcelo I. Guzman, Adam L. Houston, Ashraful Islam, Osku Kemppinen, Dale Lawrence, Elizabeth A. Pillar-Little, Shane D. Ross, Michael P. Sama, David G. Schmale Iii, Travis J. Schuyler, Ajay Shankar, Suzanne W. Smith, Sean Waugh, Cory Dixon, Steve Borenstein, Gijs De Boer

Chemistry Faculty Publications

Small unmanned aircraft systems (sUAS) are rapidly transforming atmospheric research. With the advancement of the development and application of these systems, improving knowledge of best practices for accurate measurement is critical for achieving scientific goals. We present results from an intercomparison of atmospheric measurement data from the Lower Atmospheric Process Studies at Elevation—a Remotely piloted Aircraft Team Experiment (LAPSE-RATE) field campaign. We evaluate a total of 38 individual sUAS with 23 unique sensor and platform configurations using a meteorological tower for reference measurements. We assess precision, bias, and time response of sUAS measurements of temperature, humidity, pressure, wind speed, and …


2019 Petersheim Academic Exposition Schedule Of Events, Seton Hall University Apr 2019

2019 Petersheim Academic Exposition Schedule Of Events, Seton Hall University

Petersheim Academic Exposition

2019 Petersheim Academic Exposition


High Resolution Near-Infrared/Visible Intracavity Laser Spectroscopy Of Small Molecules, Jack Harms Apr 2019

High Resolution Near-Infrared/Visible Intracavity Laser Spectroscopy Of Small Molecules, Jack Harms

Dissertations

Intracavity laser spectroscopy has been used to study the electronic structure of several small molecules. The molecules studied as part of this dissertation include germanium hydride (GeH), copper oxide (CuO), nickel chloride (NiCl), platinum fluoride (PtF), platinum chloride (PtCl), and copper hydroxide (CuOH). This work encompasses five peer-reviewed publications and two submitted manuscripts.


The Effects Of Organic And Inorganic Nanoparticles On Bacterial Deactivation, Lauren Cooper Apr 2019

The Effects Of Organic And Inorganic Nanoparticles On Bacterial Deactivation, Lauren Cooper

Mahurin Honors College Capstone Experience/Thesis Projects

Antibacterial resistance is one of the greatest problems in modern medicine, as healthcare professionals are experiencing more and more difficulty in providing effective care. As such, alternative methods of treatment are needed in order to overcome this issue. One recently proposed method of alternative treatment is photodynamic therapy. Photodynamic therapy is a light-based method of treatment that utilizes (1) a photosensitizing agent, (2) light, (3) produced oxygen species. When the photosensitizing agent is injected into an infected region of interest and then irradiated with a certain wavelength of light, the agent is photoactivated and begins to produce harmful forms of …


Editorial Board Mar 2019

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.


Table Of Contents Mar 2019

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


A Practical, Quantitative Electrostatics Experiment, Bryan K. Armentrout, Diego Castano Feb 2019

A Practical, Quantitative Electrostatics Experiment, Bryan K. Armentrout, Diego Castano

Chemistry and Physics Faculty Articles

An electrostatics experiment is presented that is practical, affordable, and quantitative. The equipment required is readily available and relatively inexpensive. The experiment relies on the electrostatic induction that results from a charged insulative plate in proximity to a conductive sphere. The experiment yields accessible results (a) under a variety of environmental conditions and results that (b) allow for quantitative analyses. These two characteristics distinguish it from most other simple electrostatics experiments. It is intended for college introductory physics students.


Fundamental Limits Of Measuring Single-Molecule Rotational Mobility, Oumeng Zhang, Matthew D. Lew Feb 2019

Fundamental Limits Of Measuring Single-Molecule Rotational Mobility, Oumeng Zhang, Matthew D. Lew

Electrical & Systems Engineering Publications and Presentations

Various methods exist for measuring molecular orientation, thereby providing insight into biochemical activities at nanoscale. Since fluorescence intensity and not electric field is detected, these methods are limited to measuring even-order moments of molecular orientation. However, any measurement noise, for example photon shot noise, will result in nonzero measurements of any of these even-order moments, thereby causing rotationally-free molecules to appear to be partially constrained. Here, we build a model to quantify measurement errors in rotational mobility. Our theoretical framework enables scientists to choose the optimal single-molecule orientation measurement technique for any desired measurement accuracy and photon budget.


Viscosities, Diffusion Coefficients, And Mixing Times Of Intrinsic Fluorescent Organic Molecules In Brown Limonene Secondary Organic Aerosol And Tests Of The Stokes–Einstein Equation, Dagny A. Ullmann, Mallory L. Hinks, Adrian M. Maclean, Christopher Butenhoff, James W. Grayson, Kelley Barsanti, Jose L. Jimenez, Sergey A. Nizkorodov, Saeid Kamal, Allan K. Bertram Feb 2019

Viscosities, Diffusion Coefficients, And Mixing Times Of Intrinsic Fluorescent Organic Molecules In Brown Limonene Secondary Organic Aerosol And Tests Of The Stokes–Einstein Equation, Dagny A. Ullmann, Mallory L. Hinks, Adrian M. Maclean, Christopher Butenhoff, James W. Grayson, Kelley Barsanti, Jose L. Jimenez, Sergey A. Nizkorodov, Saeid Kamal, Allan K. Bertram

Physics Faculty Publications and Presentations

Viscosities and diffusion rates of organics within secondary organic aerosol (SOA) remain uncertain. Using the bead-mobility technique, we measured viscosities as a function of water activity (aw) of SOA generated by the ozonolysis of limonene followed by browning by exposure to NH3 (referred to as brown limonene SOA or brown LSOA). These measurements together with viscosity measurements reported in the literature show that the viscosity of brown LSOA increases by 3–5 orders of magnitude as the aw decreases from 0.9 to approximately 0.05. In addition, we measured diffusion coefficients of intrinsic fluorescent organic molecules within brown …


Ua66/1/4 Ogden College Of Science & Engineering Dean's Office Student & Faculty Organizations, Wku Archives Jan 2019

Ua66/1/4 Ogden College Of Science & Engineering Dean's Office Student & Faculty Organizations, Wku Archives

WKU Archives Collection Inventories

Records created by and about student and faculty organizations in the Ogden College of Science & Engineering.


A Hydrogen-Bond Stabilized Mechanism Of Oxygen Evolution In Photosystem Ii: A Proposed Computational Experiment, Christopher King Jan 2019

A Hydrogen-Bond Stabilized Mechanism Of Oxygen Evolution In Photosystem Ii: A Proposed Computational Experiment, Christopher King

Undergraduate Theses, Professional Papers, and Capstone Artifacts

The ability of plants to take in water and release oxygen into the atmosphere is crucial to the survival of life on Earth. During photosynthesis, water is oxidized to O2 (dioxygen) at the Oxygen Evolving Complex (OEC) of Photosystem II. Structurally, the OEC resembles a box with an open lid, consisting of metal atoms (four manganese and one calcium) bridged by oxygen atoms. The mechanism of action of this complex, however, is not well understood. Various mechanisms have been proposed in recent years to explain how the OEC oxidizes water to dioxygen, but all of these mechanisms contain gaps …


Florida Science: The Science That Makes Florida Different, Terence W. Cavanaugh Jan 2019

Florida Science: The Science That Makes Florida Different, Terence W. Cavanaugh

Secondary Level Resources

This book was created to assist students with their understanding of how science occurs in Florida. When teaching science or any subject it’s important to remember to begin with the concrete and then move to the abstract. I have found that it has helped my students when I begin by teaching science concepts in a concrete manner and expand from there. For example, when I taught about topographic maps, the students were much more successful in their learning when I started with local topographic maps that included the school and the surrounding area than with places that had mountains or …


Volume 11, Jacob Carney, Ryan White, Joseph Hyman, Jenny Raven, Megan Garrett, Ibrahim Kante, Summer Meinhard, Lauren Johnson, William "Editha" Dean Howells, Laura Gottschalk, Christopher Siefke, Pink Powell, Natasha Woodmancy, Katharine Colley, Abbey Mays, Charlotte Potts Jan 2019

Volume 11, Jacob Carney, Ryan White, Joseph Hyman, Jenny Raven, Megan Garrett, Ibrahim Kante, Summer Meinhard, Lauren Johnson, William "Editha" Dean Howells, Laura Gottschalk, Christopher Siefke, Pink Powell, Natasha Woodmancy, Katharine Colley, Abbey Mays, Charlotte Potts

Incite: The Journal of Undergraduate Scholarship

Table of Contents:

Introduction, Dr. Roger A. Byrne, Dean

From the Editor, Dr. Larissa "Kat" Tracy

From the Designers, Rachel English, Rachel Hanson

Synthesis of 3,5-substituted Parabens and their Antimicrobial Properties, Jacob Coarney, Ryan White

Chernobyl: Putting "Perestroika" and "Glasnot" to the Test, Joseph Hyman

Art by Jenny Raven

Watering Down Accessibility: The Issue with Public Access to Alaska's Federal Waterways, Meagan Garrett

Why Has the Democratic Republic of the Congo outsourced its Responsibility to Educate its Citizens? Ibrahim Kante

Art by Summer Meinhard

A Computational Study of Single Molecule Diodes, Lauren Johnson

Satire of …


A Review: Thermal Stability Of Methylammonium Lead Halide Based Perovskite Solar Cells, Tanzila Tasnim Ava, Abdullah Al Mamun, Sylvain Marsillac, Gon Namkoong Jan 2019

A Review: Thermal Stability Of Methylammonium Lead Halide Based Perovskite Solar Cells, Tanzila Tasnim Ava, Abdullah Al Mamun, Sylvain Marsillac, Gon Namkoong

Electrical & Computer Engineering Faculty Publications

Perovskite solar cells have achieved photo-conversion efficiencies greater than 20%, making them a promising candidate as an emerging solar cell technology. While perovskite solar cells are expected to eventually compete with existing silicon-based solar cells on the market, their long-term stability has become a major bottleneck. In particular, perovskite films are found to be very sensitive to external factors such as air, UV light, light soaking, thermal stress and others. Among these stressors, light, oxygen and moisture-induced degradation can be slowed by integrating barrier or interface layers within the device architecture. However, the most representative perovskite absorber material, CH3 …


Cross Faculty Collaboration In The Development Of An Integrated Mathematics And Science Initial Teacher Education Program, Sharon P. Fraser, Kim Beswick, Margaret Penson, Andrew Seen, Robert Whannell Jan 2019

Cross Faculty Collaboration In The Development Of An Integrated Mathematics And Science Initial Teacher Education Program, Sharon P. Fraser, Kim Beswick, Margaret Penson, Andrew Seen, Robert Whannell

Australian Journal of Teacher Education

This paper describes a collaborative project involving mathematicians, scientists and educators at an Australian university where an innovative initial teacher education (ITE) degree in mathematics/science was developed. The theoretical frameworks of identity theory and academic brokerage and their use in understanding the challenges associated with the early stages of collaborative projects is described. Data from reflections and interviews of the participants after involvement in the project from one to three years are presented to illustrate these challenges. The paper concludes with a description of the importance of the academic broker in overcoming identity challenges and facilitating cultural change for academics …


Non-Covalent And Covalent Interactions Between Phenylacetylene And Quinoline Radical Cations With Polar And Non-Polar Molecules In The Gas Phase, Adam C. Pearcy Jan 2019

Non-Covalent And Covalent Interactions Between Phenylacetylene And Quinoline Radical Cations With Polar And Non-Polar Molecules In The Gas Phase, Adam C. Pearcy

Theses and Dissertations

Gas phase molecular clusters present an ideal medium for observing factors that drive chemical reactions without outside interferences from excessive solvent molecules. Introducing an ion into the cluster promotes ion-molecule interactions that may manifest in a variety of non-covalent or even covalent binding motifs and are of significant importance in many fields including atmospheric and astronomical sciences. For instance, in outer space, molecules are subject to ionizing radiation where ion-molecule reactions become increasingly competitive to molecule-molecule interactions. To elucidate individual ion-molecule interaction information, mass spectrometry was used in conjunction with appropriate theoretical calculations.

Three main categories of experiment were conducted …


Adhesion At Solid/Liquid Interfaces, Neda Ojaghlou Jan 2019

Adhesion At Solid/Liquid Interfaces, Neda Ojaghlou

Theses and Dissertations

The adhesion at solid/liquid interface plays a fundamental role in diverse fields and helps explain the structure and physical properties of interfaces, at the atomic scale, for example in catalysis, crystal growth, lubrication, electrochemistry, colloidal system, and in many biological reactions. Unraveling the atomic structure at the solid/liquid interface is, therefore, one of the major challenges facing the surface science today to understand the physical processes in the phenomena such as surface coating, self-cleaning, and oil recovery applications. In this thesis, a variety of theory/computational methods in statistical physics and statistical mechanics are used to improve understanding of water adhesion …


Energy Transfer Between Eu2+ And Mn2+ For Na(Sr,Ba)Po4 And Ba2mg(Bo3)2, Kevin Bertschinger Jan 2019

Energy Transfer Between Eu2+ And Mn2+ For Na(Sr,Ba)Po4 And Ba2mg(Bo3)2, Kevin Bertschinger

Dissertations, Master's Theses and Master's Reports

There is no debate of the affect that solid-state lighting has had on the world we live in. Throughout the centuries, lighting has continued to improve from kerosene lanterns to white light emitting diodes. Even though lighting today is sufficient there is still much room to improve color rendering index and efficiency. An active area of research to improve today's lighting technology is by doping inorganic phosphors with luminescent ion centers. There have been numerous reports of inorganic phosphors showing a variety of emission color and luminescence. In this thesis we discuss two new inorganic phosphors codoped with Eu2+ …


Table Of Contents Dec 2018

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


Electrophoretic Deposition Of Tio2 Thin Films For Photocatalytic Degradation Of Organic Pollutants In Water, Francis W Nyongesa, Bernard O Aduda, Wilson G Nyaga Dec 2018

Electrophoretic Deposition Of Tio2 Thin Films For Photocatalytic Degradation Of Organic Pollutants In Water, Francis W Nyongesa, Bernard O Aduda, Wilson G Nyaga

Tanzania Journal of Science

In this study, electrophoretic deposition (EPD) technique was used to deposit titanium dioxide (TiO2) thin films on conducting glass substrates for application in photocatalytic degradation of organic pollutants in water. Phenol was used as a model pollutant. The EPD suspension related parameters and deposition conditions were first optimized for good quality film deposits. The suspension stability and deposition conditions that result in good adherence of TiO2 particles to the substrate with homogeneous film coatings  are ethanol, a TiO2 solid loading of 4 wt%, a 0.2 wt% iodine concentration in the solvent and a deposition voltage of 20 V in a …


Mass-Analyzed Threshold Ionization Of Lanthanide Imide Lnnh (Ln = La And Ce) Radicals From N–H Bond Activation Of Ammonia, Yuchen Zhang, Silver Nyambo, Dong-Sheng Yang Dec 2018

Mass-Analyzed Threshold Ionization Of Lanthanide Imide Lnnh (Ln = La And Ce) Radicals From N–H Bond Activation Of Ammonia, Yuchen Zhang, Silver Nyambo, Dong-Sheng Yang

Chemistry Faculty Publications

Ln (Ln = La and Ce) atom reactions with ammonia are carried out in a pulsed laser vaporization supersonic molecular beam source. Lanthanide-containing species are observed with time-of-flight mass spectrometry, and LnNH molecules are characterized by mass-analyzed threshold ionization (MATI) spectroscopy and quantum chemical calculations. The theoretical calculations include density functional theory for both Ln species and a scalar relativity correction, electron correlation, and spin-orbit coupling for the Ce species. The MATI spectrum of LaNH exhibits a single vibronic band system with a strong origin band and two weak vibronic progressions, whereas the spectrum of CeNH displays two band systems …


Optimization Of Useful Hard X-Ray Photochemistry, David Lewis Goldberger Dec 2018

Optimization Of Useful Hard X-Ray Photochemistry, David Lewis Goldberger

UNLV Theses, Dissertations, Professional Papers, and Capstones

X-ray induced damage is generally considered a nuisance, but in the field of Useful Hard X-ray Photochemistry we harness the highly ionizing and penetrating properties of hard X-rays (> 7 keV) to initiate novel photochemical decomposition and synthesis at ambient and extreme conditions. Preliminary experiments suggest that the energy of irradiating photons and the sample pressure play roles in determining the nature of X-ray induced damage. Here, we present the X-ray energy dependence of damage induced in strontium oxalate, strontium nitrate, and barium nitrate, as well as the pressure dependence of X-ray induced damage of strontium oxalate. Our results indicate …


Generating High-Order Optical And Spin Harmonics From Ferromagnetic Monolayers, G.P. Zhang, M.S. Si, M. Murakami, Y.H. Bai, Thomas George Dec 2018

Generating High-Order Optical And Spin Harmonics From Ferromagnetic Monolayers, G.P. Zhang, M.S. Si, M. Murakami, Y.H. Bai, Thomas George

Chemistry & Biochemistry Faculty Works

High-order harmonic generation (HHG) in solids has entered a new phase of intensive research, with envisioned band-structure mapping on an ultrashort time scale. This partly benefits from a flurry of new HHG materials discovered, but so far has missed an important group. HHG in magnetic materials should have profound impact on future magnetic storage technology advances. Here we introduce and demonstrate HHG in ferromagnetic monolayers. We find that HHG carries spin information and sensitively depends on the relativistic spin–orbit coupling; and if they are dispersed into the crystal momentum k space, harmonics originating from real transitions can be k-resolved and …


Scaling Nonreactive Cross Flow Over A Heated Plate To Simulate Forest Fires, Nikolay Gustenyov, Nelson Akafuah, Ahmad Salaimeh, Mark A. Finney, Sara Mcallister, Kozo Saito Nov 2018

Scaling Nonreactive Cross Flow Over A Heated Plate To Simulate Forest Fires, Nikolay Gustenyov, Nelson Akafuah, Ahmad Salaimeh, Mark A. Finney, Sara Mcallister, Kozo Saito

Institute of Research for Technology Development Faculty Publications

The paper reports visualization of the flow of smoke over a flat surface inside of a low-speed wind tunnel. A heating plate flush mounted on the wind tunnel floor simulated a spreading line fire that produces uniform heat flux under constant wind speed condition. A paper-thin cloth was soaked with commercially available Vaseline and placed on top of the heating plate; when it is heated, it produced thick white smoke, ideal for flow visualization. Two sides and top of the wind tunnel were made of a trans- parent acrylic sheet that enabled LED and laser sheet light illumination of the …


Molecular And Physical Characteristics Of Aerosol At A Remote Free Troposphere Site: Implications For Atmospheric Aging, Simeon Schum, Bo Zhang, Katja Džepina, Paolo Fialho, Claudio Mazzoleni, Lynn Mazzoleni Oct 2018

Molecular And Physical Characteristics Of Aerosol At A Remote Free Troposphere Site: Implications For Atmospheric Aging, Simeon Schum, Bo Zhang, Katja Džepina, Paolo Fialho, Claudio Mazzoleni, Lynn Mazzoleni

Department of Chemistry Publications

Aerosol properties are transformed by atmospheric processes during long-range transport and play a key role in the Earth's radiative balance. To understand the molecular and physical characteristics of free tropospheric aerosol, we studied samples collected at the Pico Mountain Observatory in the North Atlantic. The observatory is located in the marine free troposphere at 2225m above sea level, on Pico Island in the Azores archipelago. The site is ideal for the study of long-range-transported free tropospheric aerosol with minimal local influence. Three aerosol samples with elevated organic carbon concentrations were selected for detailed analysis. FLEXPART retroplumes indicated that two of …


Synthesis And Characterization Of Graphene-Family Mesoporous Nanomaterials For Themal Energy Harvesting And Sensing Applications, Romney Meek Oct 2018

Synthesis And Characterization Of Graphene-Family Mesoporous Nanomaterials For Themal Energy Harvesting And Sensing Applications, Romney Meek

Masters Theses & Specialist Projects

Graphene-family nanomaterials (GFNs) have attracted a great deal of attention both in academia and in industry for a range of applications relevant for homeland security. In this thesis, an array of graphene-based hybrid materials and aerogels are synthesized for use as novel thermo-electrochemical energy harvesters and for ascorbic acid biosensing devices. The graphene-family nanomaterials include graphene oxide-GO, thermally reduced GO-rGOth, nitrogenated functionalized graphene-NFG, graphene aerogel-GA, nitrogen-doped graphene aerogel-NGA, multi-walled carbon nanotube aerogel-MWCNT, single-walled carbon nanotube aerogel-SWCNT, graphene and nanotube combined ‘hybrid’ aerogels-Gr:(SW/MW)CNT of various ratios, along with multilayered nanostructured architectures such as gold (AuNP) and silver nanoparticles (AgNP) decorated NFG …


Unraveling The Stereodynamics Of Cold Controlled Hd−H2 Collisions, James F. E. Croft, Naduvalath Balakrishnan, Meng Huang, Hua Guo Sep 2018

Unraveling The Stereodynamics Of Cold Controlled Hd−H2 Collisions, James F. E. Croft, Naduvalath Balakrishnan, Meng Huang, Hua Guo

Chemistry and Biochemistry Faculty Research

Measuring inelastic rates with partial-wave resolution requires temperatures close to a Kelvin or below, even for the lightest molecule. In a recent experiment, Perreault, Mukherjee, and Zare [Nat. Chem. 10, 561 (2018).] studied collisional relaxation of excited HD molecules in the v=1, j=2 state by para- and ortho-H2 at a temperature of about 1 K, extracting the angular distribution of scattered HD in the v=1, j=0 state. By state preparation of the HD molecules, control of the angular distribution of scattered HD was demonstrated. Here, we report a first-principles simulation of that experiment which enables us to attribute the main …