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Articles 2221 - 2250 of 7341

Full-Text Articles in Physical Sciences and Mathematics

Degradation Of Space Polymers: A Case Study, Kelby T. Peterson Apr 2015

Degradation Of Space Polymers: A Case Study, Kelby T. Peterson

Senior Theses and Projects

Materials International Space Station Experiment 6 (MISSE-6) was an experiment designed to examine the consequences of the space environment on various materials used in space-component design. USU’s contribution was comprised of approximately 180 samples that were suspended from the side of the International Space Station (ISS) for 18 months and returned to allow for pre- and post-flight comparisons. The sample with the most evident changes was a thin film of polyethylene terephthalate (PET) MylarTM coated with Vapor Deposited Aluminum (VDA). The post-flight analysis showed evidence of atomic oxygen erosion of the VDA layer, UV-induced discoloration of the polymer, and a …


Active Salt Deformation And Rapid, Transient Incision Along The Colorado River Near Moab, Utah, Andrew P. Jochems, Joel L. Pederson Apr 2015

Active Salt Deformation And Rapid, Transient Incision Along The Colorado River Near Moab, Utah, Andrew P. Jochems, Joel L. Pederson

Geosciences Faculty Publications

In certain settings, erosion is driven by and balanced with tectonic uplift, but the evolution of many landscapes is dominated by other factors such as geologic substrate, drainage history, and transient incision. The Colorado Plateau is an example where these controls are debated and where salt deformation is hypothesized to be locally active and driven by differential unloading, although this is unconfirmed and unquantified in most places. We use luminescence-dated Colorado River terraces upstream of Moab, Utah, to quantify rates of salt-driven subsidence and uplift at the local scale. Active deformation in the study area is also supported by patterns …


Tools For Evaluating And Monitoring Effectiveness Of Urban Landscape Water Conservation Interventions And Programs, Diana T. Glenn, Joanna Endter-Wada, Roger Kjelgren, Christopher M. U. Neale Mar 2015

Tools For Evaluating And Monitoring Effectiveness Of Urban Landscape Water Conservation Interventions And Programs, Diana T. Glenn, Joanna Endter-Wada, Roger Kjelgren, Christopher M. U. Neale

Environment and Society Faculty Publications

Our research objective was to investigate ways to evaluate landscape water use to help cities more effectively direct water conservation programs to locations with capacity to conserve. Research was conducted in connection with a landscape irrigation evaluation delivered through a city-sponsored Water Check Program. Research efforts led to development of several assessment and monitoring tools including: Landscape Irrigation Ratio (LIR), Participant Outcome Evaluation Tool, and Program Evaluation Tool. We utilized these tools to identify locations with capacity to conserve water applied to landscapes, compare water use before and after the water check, and evaluate Water Check Program effectiveness. We found …


The Riemann Curvature Tensor, Its Invariants, And Their Use In The Classification Of Spacetimes, Jesse Hicks Mar 2015

The Riemann Curvature Tensor, Its Invariants, And Their Use In The Classification Of Spacetimes, Jesse Hicks

Presentations and Publications

The equivalence problem in general relativity is to determine whether two solutions of the Einstein field equations are isometric. Petrov has given a classification of metrics according to their isometry algebras. This talk discusses the use of the Petrov classification scheme, together with the use of scalar curvature invariants, to address the equivalence problem. These are the slides for a presentation at the Mathematics Association of America Spring 2015 conference at Brigham Young University.


Long-Term Midlatitude Mesopause Region Temperature Trend Deduced From Quarter Century (1990-2014) Na Lidar Observations, Chiao Y. She, D. A. Krueger, Tao Yuan Mar 2015

Long-Term Midlatitude Mesopause Region Temperature Trend Deduced From Quarter Century (1990-2014) Na Lidar Observations, Chiao Y. She, D. A. Krueger, Tao Yuan

All Physics Faculty Publications

The long-term midlatitude temperature trend between 85 and 105 km is deduced from 25 years (March 1990-December 2014) of Na Lidar observations. With a strong warming episode in the 1990s, the time series was least-square fitted to an 11-parameter nonlinear function. This yields a cooling trend starting from an insignificant value of 0.64 ± 0.99 K decade-1 at 85 km, increasing to a maximum of 2.8 ± 0.58K decade-1 between 91 and 93 km, and then decreasing to a warming trend above 103 km. The geographic altitude dependence of the trend is in general agreement with model predictions. …


Simultaneous Observations Of The Phase-Locked 2 Day Wave At Adelaide, Cerro Pachon, And Darwin, R. L. Walterscheid, J. H. Hecht, L. J. Gelinas, A. Mackinnon, R. A. Vincent, I. M. Reid, S. J. Franke, Yucheng Zhao, Michael J. Taylor, Pierre-Dominique Pautet Mar 2015

Simultaneous Observations Of The Phase-Locked 2 Day Wave At Adelaide, Cerro Pachon, And Darwin, R. L. Walterscheid, J. H. Hecht, L. J. Gelinas, A. Mackinnon, R. A. Vincent, I. M. Reid, S. J. Franke, Yucheng Zhao, Michael J. Taylor, Pierre-Dominique Pautet

All Physics Faculty Publications

The Southern Hemisphere summer 2 day wave (TDW) is the most dramatic large-scale event of the upper mesosphere. The winds accelerate over _1 week, may attain > 70 m/s, and are often accompanied by a near disappearance of the diurnal tide and stabilization of the period close to 48 h. We denote this as the phase-locked 2 day wave (PL/TDW). We have examined airglow and meteor radar (MR) wind data from the Andes Lidar Observatory (Cerro Pachon, Chile:30¡S, 289.3¡E), MR data from Darwin (12.5¡S, 131¡E) and airglow and medium frequency radar data from the University of Adelaide (34.7¡S, 138.6¡E) for the …


Low-Latitude Scintillation Weakening During Sudden Stratospheric Warming Events, E. R. De Paula, O. F. Jonah, A. O. Moraes, E. A. Kherani, B. G. Fejer, M. A. Abdu, M.T. A.H. Muella, I. S. Batista, S. L.G. Dutra, R. R. Paes Mar 2015

Low-Latitude Scintillation Weakening During Sudden Stratospheric Warming Events, E. R. De Paula, O. F. Jonah, A. O. Moraes, E. A. Kherani, B. G. Fejer, M. A. Abdu, M.T. A.H. Muella, I. S. Batista, S. L.G. Dutra, R. R. Paes

All Physics Faculty Publications

Global Positioning System (GPS) L1-frequency (1.575 GHz) amplitude scintillations at São José dos Campos (23.1°S, 45.8°W, dip latitude 17.3°S), located under the southern crest of the equatorial ionization anomaly, are analyzed during the Northern Hemisphere winter sudden stratospheric warming (SSW) events of 2001/2002, 2002/2003, and 2012/2013. The events occurred during a period when moderate to strong scintillations are normally observed in the Brazilian longitude sector. The selected SSW events were of moderate and major categories and under low Kp conditions. The most important result of the current study is the long-lasting (many weeks) weakening of scintillation amplitudes at this low-latitude …


Addressing Light Pollution At Utah State University, Rachel Nydegger Mar 2015

Addressing Light Pollution At Utah State University, Rachel Nydegger

Browse All Undergraduate research

Many outdoor light fixtures illuminate in all directions, meaning that a large por- tion of light emitted is sent upwards. This excess of light light pollution – repre- sents wasted energy and money, decreases public safety, harms nocturnal and migra- tory animals, and destroys our view of the night sky. While Utah State University Facilities does have a program in place to retrofit light fixtures, and newly installed fixtures are chosen with light pollution in consideration, many of the light posts on campus continue to pollute the night sky. With the support of the Student Sustain- ability Offices Blue Goes …


Home Range Use And Movement Patterns Of Non-Native Feral Goats In A Tropical Island Montane Dry Landscape, Mark William Chynoweth, Christopher A. Lepczyk, Creighton M. Litton, Steven C. Hess, James R. Kellner, Susan Cordell Mar 2015

Home Range Use And Movement Patterns Of Non-Native Feral Goats In A Tropical Island Montane Dry Landscape, Mark William Chynoweth, Christopher A. Lepczyk, Creighton M. Litton, Steven C. Hess, James R. Kellner, Susan Cordell

Wildland Resources Faculty Publications

Advances in wildlife telemetry and remote sensing technology facilitate studies of broad-scale movements of ungulates in relation to phenological shifts in vegetation. In tropical island dry landscapes, home range use and movements of non-native feral goats (Capra hircus) are largely unknown, yet this information is important to help guide the conservation and restoration of some of the world’s most critically endangered ecosystems. We hypothesized that feral goats would respond to resource pulses in vegetation by traveling to areas of recent green-up. To address this hypothesis, we fitted six male and seven female feral goats with Global Positioning System (GPS) collars …


Assessment Of Surface Soil Moisture Using High-Resolution Multi-Spectral Imagery And Artificial Neural Networks, Leila Hassan-Esfahani, Alfonso Torres-Rua, Austin Jensen, Mac Mckee Mar 2015

Assessment Of Surface Soil Moisture Using High-Resolution Multi-Spectral Imagery And Artificial Neural Networks, Leila Hassan-Esfahani, Alfonso Torres-Rua, Austin Jensen, Mac Mckee

AggieAir Publications

Many crop production management decisions can be informed using data from high-resolution aerial images that provide information about crop health as influenced by soil fertility and moisture. Surface soil moisture is a key component of soil water balance, which addresses water and energy exchanges at the surface/atmosphere interface; however, high-resolution remotely sensed data is rarely used to acquire soil moisture values. In this study, an artificial neural network (ANN) model was developed to quantify the effectiveness of using spectral images to estimate surface soil moisture. The model produces acceptable estimations of surface soil moisture (root mean square error (RMSE) = …


Model For Charge Injection With Electron Beams Into Highly Disordered Insulating Materials, Jr Dennison, Alec M. Sim, Gregory Wilson Mar 2015

Model For Charge Injection With Electron Beams Into Highly Disordered Insulating Materials, Jr Dennison, Alec M. Sim, Gregory Wilson

Presentations

The Walden-Wintle model for charge injection and transport through highly disordered insulating materials has been extended to include charge injection with a charged particle beam. The original model is applicable to charge injection in a dielectric material from a pair of electrodes in a parallel-plate geometry. It provides a versatile approach to predict the time-dependent current at a rear grounded electrode and the incident surface voltage, as the injection current density evolves over time with the development of a space charge barrier near the injection electrode. The Walden-Wintle model has been applied to many standard cases including Fowler-Nordheim injection, Schottky …


Simulation Of Uv Radiation Degradation Of Polymers On Misse-6 In The Low Earth Orbit Environment, Kelby T. Peterson, Jr Dennison Mar 2015

Simulation Of Uv Radiation Degradation Of Polymers On Misse-6 In The Low Earth Orbit Environment, Kelby T. Peterson, Jr Dennison

Senior Theses and Projects

Materials International Space Station Experiment 6 (MISSE-6) was an experiment designed to examine the consequences of the space environment on various materials used in space-component design. USU’s contribution was comprised of approximately 180 samples that were suspended from the side of the International Space Station (ISS) for 18 months and returned to allow for pre- and post-flight comparisons. The sample with the most evident changes was a thin film of polyethylene terephthalate (PET) MylarTM coated with Vapor Deposited Aluminum (VDA). The post-flight analysis showed evidence of atomic oxygen erosion of the VDA layer, UV-induced discoloration of the polymer, and …


Geometrization Conditions For Perfect Fluids, Scalar Fields, And Electromagnetic Fields, Charles G. Torre, Dionisios Krongos Mar 2015

Geometrization Conditions For Perfect Fluids, Scalar Fields, And Electromagnetic Fields, Charles G. Torre, Dionisios Krongos

Presentations and Publications

Rainich-type conditions giving a spacetime “geometrization” of matter fields in general relativity are reviewed and extended. Three types of matter are considered: perfect fluids, scalar fields, and elec- tromagnetic fields. Necessary and sufficient conditions on a spacetime metric for it to be part of a perfect fluid solution of the Einstein equa- tions are given. Formulas for constructing the fluid from the metric are obtained. All fluid results hold for any spacetime dimension. Ge- ometric conditions on a metric which are necessary and sufficient for it to define a solution of the Einstein-scalar field equations and for- mulas for constructing …


The Infrared Spectrum Of The He-C2d2 Complex, N. Moazzen-Ahmadi, A. R. W. Mckellar, Berta Fernandez, David Farrelly Feb 2015

The Infrared Spectrum Of The He-C2d2 Complex, N. Moazzen-Ahmadi, A. R. W. Mckellar, Berta Fernandez, David Farrelly

Chemistry and Biochemistry Faculty Publications

Spectra of the helium-acetylene complex are elusive because this weakly bound system lies close to the free rotor limit. Previously, limited assignments of He–C2D2 transitions in the R(0) region of the ν3 fundamental band (≈2440 cm−1) were published. Here, new He–C2D2 infrared spectra of this band are obtained using a tunable optical parametric oscillator laser source to probe a pulsed supersonic slit jet expansion from a cooled nozzle, and the analysis is extended to the weaker and more difficult P(1) and R(1) regions. A term value approach is used to obtain a consistent set of “experimental” energy levels. …


Analysis Of Electrostatic Breakdown Sites, Sam Hansen Feb 2015

Analysis Of Electrostatic Breakdown Sites, Sam Hansen

Physics Capstone Projects

Materials potentially suitable for spacecraft construction were exposed to electrostatic discharge in the USU Materials Physics Group lab, with hopes of identifying samples that possess greater resistance to breakdown. Breakdown shape and size may be important to determining material suitability for spacecraft construction. The discharge damage sites of tested samples were examined, measured and logged into a matrix file for data analysis. Once logged, data were sorted within the matrix and compared graphically to identify trends. Several interesting discoveries were made. LDPE sample breakdown sites are significantly larger than Kapton varieties. We were unable to link increased energy inputs to …


Non-Isomorphic Real Simple Lie Algebras Of The Same Complex Type And Character, Ian M. Anderson Feb 2015

Non-Isomorphic Real Simple Lie Algebras Of The Same Complex Type And Character, Ian M. Anderson

Tutorials on... in 1 hour or less

Complex simple Lie algebras are classified by their root types. The type of a real simple Lie algebra is the root type of the associated complex algebra. The character of a real simple Lie algebra is the signature of its Killing form.

For many root types, the character is sufficient to uniquely classify the corresponding real Lie algebras. However, one should not take this statement to be literally true – there are a few cases where the character does not suffice to distinguish all possible real forms.

In this worksheet we will show that the 2 real non-isomorphic Lie algebras …


Predicting Invasion Rates For Phragmites Australis, Rachel Nydegger, Jacob Duncan, James A. Powell Feb 2015

Predicting Invasion Rates For Phragmites Australis, Rachel Nydegger, Jacob Duncan, James A. Powell

Browse All Undergraduate research

In wetlands of Utah and southern Idaho as well as estuaries of the east coast, the ten-foot tall invasive grass Phragmites australis can be found near waterways, where it outcompetes native plants and degrades wildlife habitat. Phragmites australis is an obligate out-crossing plant that can spread sexually through seed disper- sal, or asexually via stolons and rhi- zomes (Kettenring and Mock 2012). Small patches are usually a single genetic individual, spreading vegetatively (and slowly) via runners; when patches become genetically diverse viable seeds are produced and invasion rates can be increase by an order of magnitude (Kettenring et al. 2011)


Recent Progress In Mesospheric Gravity Wave Studies Using Nigthglow Imaging System, Michael J. Taylor, William R. Pendleton Jr., Pierre-Dominique Pautet, Yucheng Zhao, Chris Olsen, Hema Karnam Surendra Babu, Amauri F. Medeiros, Hisao Takahashi Feb 2015

Recent Progress In Mesospheric Gravity Wave Studies Using Nigthglow Imaging System, Michael J. Taylor, William R. Pendleton Jr., Pierre-Dominique Pautet, Yucheng Zhao, Chris Olsen, Hema Karnam Surendra Babu, Amauri F. Medeiros, Hisao Takahashi

Publications

A variety of optical remote sensing techniques have now revealed a rich spectrum of wave activity in the upper atmosphere. Many of these perturbations, with periodicities ranging from ~ 5 min to many hours and horizontal scales of a few tens of km to several thousands km, are due to freely propagating atmospheric gravity waves and forced tidal oscillations. Passive optical observations of the spatial and temporal characteristics of these waves in the mesosphere and lower thermosphere (MLT) region ( ~ 80-100 km) are facilitated by several naturally occurring, vertically distinct nightglow layers. This paper describes the use of state-of-the-art …


The North American Winter 'Dipole' And Extremes Activity: A Cmip5 Assessment, Shih-Yu (Simon) Wang, Wan-Ru Huang, Jin-Ho Yoon Feb 2015

The North American Winter 'Dipole' And Extremes Activity: A Cmip5 Assessment, Shih-Yu (Simon) Wang, Wan-Ru Huang, Jin-Ho Yoon

Plants, Soils, and Climate Faculty Publications

The 2013–2014 winter in North America brought intense drought in the West and severe cold in the East. The circulation anomalies were characterized as a dipole: an amplified upper-level ridge over the West Coast and a deepened trough over the central-eastern United States. A previous study using a single model has linked the dipole to the El Niño precursor and found that this link has strengthened in recent years. Here, 17 models from the Coupled Model Intercomparison Project Phase 5 are used to examine the dipole activity. Most models capture the dipole and its association with El Niño precursor and …


Ecological Changes In Two Contrasting Lakes Associated With Human Activity And Dust Transport In Western Wyoming, Janice Brahney, Ashley P. Ballantyne, P. Kociolek, P. R. Leavitt, G. L. Farmer, Jason C. Neff Feb 2015

Ecological Changes In Two Contrasting Lakes Associated With Human Activity And Dust Transport In Western Wyoming, Janice Brahney, Ashley P. Ballantyne, P. Kociolek, P. R. Leavitt, G. L. Farmer, Jason C. Neff

Watershed Sciences Faculty Publications

The atmospheric transport and deposition of aerosols has the potential to influence the chemistry and biology of oligotrophic alpine lakes. In recent decades, dust and nitrogen emissions to alpine ecosystems have increased across large areas of the western U.S., including Wyoming. Here, we use sediment geochemistry and 87Sr/86Sr and 143Nd/144Nd isotopes to examine historical dust deposition rates to alpine lakes in the southwestern region of the Wind River Range, Wyoming. We evaluate the biological response using diatom fossil assemblages and sediment pigment concentrations. Sediment core analyses indicated that prior to a recent rise in dust flux, phosphorus concentrations and species …


The Spacetime Co-Torsion In Torsion-Free Biconformal Spaces, James Thomas Wheeler Feb 2015

The Spacetime Co-Torsion In Torsion-Free Biconformal Spaces, James Thomas Wheeler

James Thomas Wheeler

In preceding studies, [TR Gamma minus, TR Gamma plus] we showed that the solution for the connection of flat biconformal space also solves the curved space field equations for the torsion and co-torsion. We continued this investigation with an attempt to solve the full set of torsion and co-torsion field equations, with only the assumption of vanishing torsion and the known form of the metric. We successfully reduced the torsion equations to a single equation. Here, we reduce that equation to its essential degrees of freedom. We find that the spacetime co-torsion is entirely determined by the scale vector and …


Variation Of The Weyl Action, James Thomas Wheeler Feb 2015

Variation Of The Weyl Action, James Thomas Wheeler

James Thomas Wheeler

We show how to vary the fourth order Weyl gravity action to derive the Bach equation.


Coordinated Investigation Of Mid-Latitude Upper Mesospheric Temperature Inversion Layers And The Associated Gravity Wave Forcing By Na Lidar And Advanced Mesospheric Temperature Mapper At Logan, Utah (42°N), Tao Yuan, Pierre-Dominique Pautet, Yucheng Zhao, Xuguang Cai, Neal R. Criddle, Michael J. Taylor, William R. Pendleton Jr. Feb 2015

Coordinated Investigation Of Mid-Latitude Upper Mesospheric Temperature Inversion Layers And The Associated Gravity Wave Forcing By Na Lidar And Advanced Mesospheric Temperature Mapper At Logan, Utah (42°N), Tao Yuan, Pierre-Dominique Pautet, Yucheng Zhao, Xuguang Cai, Neal R. Criddle, Michael J. Taylor, William R. Pendleton Jr.

Publications

Mesospheric inversion layers (MIL) are well studied in the literature but their relationship to the dynamic feature associated with the breaking of atmospheric waves in the mesosphere/lower thermosphere (MLT) region are not well understood. Two strong MIL events (ΔT ~30 K) were observed above 90 km during a 6 day full diurnal cycle Na lidar campaign conducted from 6 August to 13 August Logan, Utah (42°N, 112°W). Colocated Advanced Mesospheric Temperature Mapper observations provided key information on concurrent gravity wave (GW) events and their characteristics during the nighttime observations. The study found both MILs were well correlated with the development …


Machine Learning For Predicting Soil Classes In Three Semi-Arid Landscapes, Colby W. Brungard, Janis L. Boettinger, Michael C. Duniway, Skye A. Wills, Thomas C. Edwards Jr. Feb 2015

Machine Learning For Predicting Soil Classes In Three Semi-Arid Landscapes, Colby W. Brungard, Janis L. Boettinger, Michael C. Duniway, Skye A. Wills, Thomas C. Edwards Jr.

Plants, Soils, and Climate Faculty Publications

Mapping the spatial distribution of soil taxonomic classes is important for informing soil use and management decisions. Digital soil mapping (DSM) can quantitatively predict the spatial distribution of soil taxonomic classes. Key components of DSM are the method and the set of environmental covariates used to predict soil classes. Machine learning is a general term for a broad set of statistical modeling techniques. Many different machine learning models have been applied in the literature and there are different approaches for selecting covariates for DSM. However, there is little guidance as to which, if any, machine learning model and covariate set …


Intramolecular S···O Chalcogen Bond As Stabilizing Factor In Geometry Of Substituted Phenyl-Sf3 Molecules, Vincent De Paul Nziko, Steve Scheiner Feb 2015

Intramolecular S···O Chalcogen Bond As Stabilizing Factor In Geometry Of Substituted Phenyl-Sf3 Molecules, Vincent De Paul Nziko, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Density functional methods are used to examine the geometries and energetics of molecules containing a phenyl ring joined to the trigonal bipyramidal SF3 framework. The phenyl ring has a strong preference for an equatorial position. This preference remains when one or two ether -CH2OCH3 groups are added to the phenyl ring, ortho to SF3, wherein an apical structure lies nearly 30 kcal/mol higher in energy. Whether equatorial or apical, the molecule is stabilized by a S···O chalcogen bond, sometimes augmented by CH···F or CH···O H-bonds. The strength of the intramolecular S···O bond is estimated to lie in the range between …


Synthesis And Characterization Of Polymer (Sulfonated Poly-Ether-Ether-Ketone) Based Nanocomposite (H-Boron Nitride) Membrane For Hydrogen Storage, R. Muthu Nareth, S. Rajashabla, Ramaiyan Navaneetha Kannan Jan 2015

Synthesis And Characterization Of Polymer (Sulfonated Poly-Ether-Ether-Ketone) Based Nanocomposite (H-Boron Nitride) Membrane For Hydrogen Storage, R. Muthu Nareth, S. Rajashabla, Ramaiyan Navaneetha Kannan

All Physics Faculty Publications

The development of light weight and compact hydrogen storage materials is still prerequisite to fuel-cell technology to be fully competitive. The present experimental study reports the hydrogen storage capability of sulfonated poly-ether-ether-ketone (SPEEK)-hexagonal boron nitride (h-BN) (SPEEK-h-BN) nanocomposite membranes. The nanocomposite membranes are prepared by considering various amount of h-BN (0, 1, 3 and 5 wt. %) by phase inversion technique. The degree of sulfonation of the PEEK (SPEEK) is found to be 65% by Proton Nuclear Magnetic Resonance (1H NMR) spectroscopy. Hydrogen adsorption studies have been carried out using a Seiverts-like hydrogenation setup. The membranes are characterized …


Homologous Recombination, Regulation, And Breast Cancer Emergence, Elliot Corless Jan 2015

Homologous Recombination, Regulation, And Breast Cancer Emergence, Elliot Corless

Research on Capitol Hill

No abstract provided.


The Game Of Thrones: A Study Of Power Networks And How They Change, Trevor Williams Jan 2015

The Game Of Thrones: A Study Of Power Networks And How They Change, Trevor Williams

Research on Capitol Hill

No abstract provided.


Torsion Free Biconformal Spaces: Reducing The Torsion Field Equations, James Thomas Wheeler Jan 2015

Torsion Free Biconformal Spaces: Reducing The Torsion Field Equations, James Thomas Wheeler

James Thomas Wheeler

Our goal is to solve the full set of torsion and co-torsion field equations of Euclidean biconformal space, with only the assumption of vanishing torsion. Here we begin by resolving the involution constraints, symmetry conditions and torsion field equation into a single equation for further study.


Tetrel, Chalcogen, And Ch⋅⋅O Hydrogen Bonds In Complexes Pairing Carbonyl-Containing Molecules With 1, 2, And 3 Molecules Of Co2, L. M. Azofra, Steve Scheiner Jan 2015

Tetrel, Chalcogen, And Ch⋅⋅O Hydrogen Bonds In Complexes Pairing Carbonyl-Containing Molecules With 1, 2, And 3 Molecules Of Co2, L. M. Azofra, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

The complexes formed by H2CO, CH3CHO, and (CH3)2CO with 1, 2, and 3 molecules of CO2 are studied by ab initio calculations. Three different types of heterodimers are observed, most containing a tetrel bond to the C atom of CO2, and some supplemented by a CH⋅⋅O H-bond. One type of heterodimer is stabilized by an anti-parallel arrangement of the C=O bonds of the two molecules. The binding energies are enhanced by methyl substitution on the carbonyl, and vary between 2.4 and 3.5 kcal/mol. Natural bond orbital analysis identifies a prime source of interaction as charge transfer into the π*(CO) antibonding …