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Articles 3031 - 3060 of 4195

Full-Text Articles in Physical Sciences and Mathematics

High Resolution Antarctic Glaciochemical Climate Proxy Records And Their Global Implications, Daniel Arthur Dixon Jan 2011

High Resolution Antarctic Glaciochemical Climate Proxy Records And Their Global Implications, Daniel Arthur Dixon

Electronic Theses and Dissertations

The first section of this study presents major ion, trace element, heavy metal, rare earth element and oxygen isotope data from a series of surface snow samples and shallow firn sections collected along four US ITASE traverses across extensive regions of East and West Antarctica. In each sample the dissolved major ion, total trace element, and d18O concentrations are measured. This provides a baseline from which changes in the chemistry of the atmosphere over Antarctica can be monitored under expected warming scenarios and continued intensification of industrial activities in the Southern Hemisphere. Satellite remote sensing measurements of microwave backscatter and …


Photonic Non-Destructive Measurement Methods For Investigating The Evolution Of Polar Firn And Ice, Daniel James Breton Jan 2011

Photonic Non-Destructive Measurement Methods For Investigating The Evolution Of Polar Firn And Ice, Daniel James Breton

Electronic Theses and Dissertations

When snow falls on glaciers or ice sheets, it persists for many tens, hundreds and sometimes thousands of years before becoming ice. The granular material in between fresh snow and glacial ice is known as firn and is generally 50 to 100 m thick over polar ice sheets. The compaction mechanism of firn into ice (called densification) has important glaciological ramifications in determination of ice sheet stability and related sea level rise effects via remote sensing altimetry. Firn densification is also important for correctly interpreting ice core paleoclimate records, especially those analyzing gases trapped in air bubbles within the glacial …


Comparative Study Of Ethanol And Methanol Electro-Oxidation On A Platinum/Ceria Composite Electrode In Alkaline And Acid Solutions : Electro-Catalytic Performance And Reaction Kinetics, Carlos Humberto Hidalgo Martinez Jan 2011

Comparative Study Of Ethanol And Methanol Electro-Oxidation On A Platinum/Ceria Composite Electrode In Alkaline And Acid Solutions : Electro-Catalytic Performance And Reaction Kinetics, Carlos Humberto Hidalgo Martinez

Electronic Theses and Dissertations

A comparative study of the electro-oxidation of ethanol and methanol was carried out on a Pt/ceria composite electrode prepared by electro-deposition. Modification of the Pt electrode was realized by co-deposition from a 1.0 mM K₂PtCl₆ solution that also contained a 20 mM suspension of ceria. The electro-catalytic activities and stabilities of the Pt/ceria catalyst towards ethanol electro-oxidation reactions (EOR) and methanol electro-oxidation reactions (MOR) were investigated by potentiodynamic and potentiostatic methods in 0.5 M sulfuric acid and 1.0 M sodium hydroxide solutions at various concentrations of ethanol and methanol. The kinetics of ethanol and methanol on a Pt/ceria composite electrode …


Tunneling Conductance Characterization Of A Quantum Dot In The Fractional Quantum Hall Regime, Douglas E. Willard Jan 2011

Tunneling Conductance Characterization Of A Quantum Dot In The Fractional Quantum Hall Regime, Douglas E. Willard

Electronic Theses and Dissertations

This work represents a first-principles calculation of the electron tunneling current into quantum dots in the fractional quantum Hall effect regime. The system under consideration consists of an idealized Scanning Tunneling Microscope (STM) tip and a quantum dot with disk geometry and interacting electrons in a transverse magnetic field. Within the context of this model the tunneling current between the STM tip and the dot is examined for spin-polarized electrons at and around a filling factor of 1/3. The current expression is based on a second-quantized Hamiltonian in which electrons in the dot are interacting, confined, and restricted to the …


Electronic Transport Properties Of Ruthenium And Ruthenium Dioxide Thin Films, Michael M. Steeves Jan 2011

Electronic Transport Properties Of Ruthenium And Ruthenium Dioxide Thin Films, Michael M. Steeves

Electronic Theses and Dissertations

Resistivities (ρ) and Hall coefficients (RH) of polycrystalline Ru and RuO2 thin films were measured from 293 to 600 K in vacuum, O2, and CO. Differing nanostructures and textures were sputtered at normal, confocal, and glancing incidences to 20 - 300 nm thickness. For Ru in planar or nanorod morphologies, defects have negligible effect on RH, which is similar to RH in bulk metal. Models of effective thickness are derived for the nanorod morphology. For Ru and RuO2 films, decreases in ρ on first heating are caused by defect annealing; subsequent …


A Gis Investigation Of Regional Geologic Controls On Mercury Deposits In The Southwest Region Of Arkansas, Lindsey Carol Langsdon Jan 2011

A Gis Investigation Of Regional Geologic Controls On Mercury Deposits In The Southwest Region Of Arkansas, Lindsey Carol Langsdon

Electronic Theses and Dissertations

The mercury district of southwest Arkansas, located within Clark, Pike, and Howard counties, contains 77 mapped mercury deposits, primarily in the form of cinnabar, found within the sandstones and shales of the Stanley and Jackfork Formations. The geographic locations of the majority of the deposits tend to form an east-northeast alignment in map view. Utilization of Geographic Information Systems (GIS) tools provided insight to the regional controls on the spatial distribution of the mercury deposits by examining the proposed relationships between mercury deposits and regional faults or changes in lithology, both of which have been suggested (Clardy and Bush, 1976) …


Large Margin Random Forests On Mixed Type Data, Sheng Liu Jan 2011

Large Margin Random Forests On Mixed Type Data, Sheng Liu

Electronic Theses and Dissertations

Incorporating various sources of biological information is important for biological discovery. For example, genes have a multi-view representation. They can be represented by features such as sequence length and physical-chemical properties. They can also be represented by pairwise similarities, gene expression levels, and phylogenetics position. Hence, the types vary from numerical features to categorical features. An efficient way of learning from observations with a multi-view representation of mixed type of data is thus important. We propose a large margin random forests classification approach based on random forests proximity. Random forests accommodate mixed data types naturally. Large margin classifiers are obtained …


Bipartite Density Of Generalized Petersen Graphs, Lisa Jordan Ewell Jan 2011

Bipartite Density Of Generalized Petersen Graphs, Lisa Jordan Ewell

Electronic Theses and Dissertations

The bipartite density b(G) of a graph G with m edges is the maximum ratio [special characters omitted] where m0 is the number of edges in a bipartitesubgraph of G. In this study we determine the bipartite density of several classes of Generalized Petersen Graphs. These graphs are denoted by P(n, k), where n ≥ 3 and 1 ≤ k < n with n ≠ 2k. The Generalized Petersen Graph P(n, k) has vertices [special characters omitted] and edges [special characters omitted] where subscript addition is modulo n. We define subgraphs P'(n, k) of P( n, k) by deleting the edge vn –1v0 and the edges w iwi+k for n – k ≤ i ≤ n – 1. For P'(n, k) and many classes of P(n, k), we determine the exact number of edges which must be removed from P( n, k) to reduce it to a bipartite subgraph. In many classes of Generalized Petersen Graphs the exact bipartite density is derived. For example: b(P(n, k)) = 1 for n even, k odd; b(P(n, k)) = 1 – [special characters omitted] for n and k odd and n > k²; b(P( n, k)) is asymptotically 1 – [special characters omitted] for n odd, k even.


Design And Synthesis Of Novel Agrofungicides Based On Naturally Occurring Pbdes, Robert Alexander Smith Jan 2011

Design And Synthesis Of Novel Agrofungicides Based On Naturally Occurring Pbdes, Robert Alexander Smith

Electronic Theses and Dissertations

Cyanobacterial symbionts of Indo Pacific marine sponges, e.g. Dysidea sp., produce hydroxylated (OH-) polybrominated diphenyl ethers (PDBEs) which likely function as chemical deterrents owing to their antifungal and antibacterial properties. Limiting the therapeutic potential and agricultural use of these antimicrobial natural products are the negative connotations associated with non hydroxylated anthropogenic PBDEs. Anthropogenic PBDEs are pervasive global pollutants used as flame retardant additives in many household goods, e.g. furniture, textiles, and electronics. These molecules have a propensity to bioaccumulate in living organisms, they easily traverse the trophic food chains, they are readily passed from mother to offspring, and many of …


Investigations On Morphology, Spectroscopy And Near-Infrared Photoresponse Sensitization Of Conjugated Polymers In Organic Photovoltaics, Zhongjian Hu Jan 2011

Investigations On Morphology, Spectroscopy And Near-Infrared Photoresponse Sensitization Of Conjugated Polymers In Organic Photovoltaics, Zhongjian Hu

Electronic Theses and Dissertations

Conjugated polymer architecture and morphology are two of the key factors that determine corresponding opto-electronic device performance. It is well-known that conjugated polymers display a variety of conformations and exhibit aggregation in their materials and even for individual polymer chains. The intrinsic structural heterogeneity of conjugated polymers strongly complicates the active layer morphology and phase separation, which are crucial for photoinduced charge generation and transport in polymer based bulk heterojunction-organic photovoltaics device (BHJ-OPVs). Aiming to probe the molecular level correlations between conjugated polymer architecture, morphology and optoelectronic properties, single molecule spectroscopy (SMS) and single particle spectroscopy (SPS) were employed. The …


Self-Assembly Of Amyloid Aggregates Simulated With Molecular Dynamics, Workalemahu Mikre Berhanu Jan 2011

Self-Assembly Of Amyloid Aggregates Simulated With Molecular Dynamics, Workalemahu Mikre Berhanu

Electronic Theses and Dissertations

Amyloids are highly ordered cross-β sheet aggregates that are associated with many diseases such as Alzheimer‟s, type II diabetes and prion diseases. Recently a progress has been made in structure elucidation, environmental effects and thermodynamic properties of amyloid aggregates. However, detailed understanding of how mutation, packing polymorphism and small organic molecules influence amyloid structure and dynamics is still lacking. Atomistic modeling of these phenomena with molecular dynamics (MD) simulations holds a great promise to bridge this gap. This Thesis describes the results of MD simulations, which provide insight into the effects of mutation, packing polymorphism and molecular inhibitors on amyloid …


Characterization Of Intermolecular Pi-Type Interactions Using Sophisticated Quantum Mechanical, Electronic Structure Computations, Emily Joy Carrell Jan 2011

Characterization Of Intermolecular Pi-Type Interactions Using Sophisticated Quantum Mechanical, Electronic Structure Computations, Emily Joy Carrell

Electronic Theses and Dissertations

Much like the instrumentation in an experimental lab, computational chemists use computers to solve the mathematical equations that describe the physics of electrons to understand the chemistry involved. The combination of the two main components of computational chemistry, the basis set and method, determines the ``cost'' (disk, memory, and CPU time) of a computation. A variety of basis sets and methods have been developed in the past century. The focus of this report is to accurately describe non-covalent interactions with the use of various quantum computational techniques. In Chapter 1 a brief discussion on the theory behind computational chemistry is …


A 233km Circumference Tunnel For E+E-, Pp{Bar}, And Mu+Mu- Colliders, George Thomas Lyons Iii Jan 2011

A 233km Circumference Tunnel For E+E-, Pp{Bar}, And Mu+Mu- Colliders, George Thomas Lyons Iii

Electronic Theses and Dissertations

In 2001 a cost analysis survey was conducted to build a 233km circumference tunnel in northern Illinois in which to build a Very Large Hadron Collider. Ten years later I have reexamined the proposal, taking into consideration the technological advancements in all the aspects of construction cost analysis. I would also propose that the implementation of a multipurpose collider could be introduced in light of new advancements in design parameters surrounding such collision methods. Such a collider could provide the means necessary for Chicago and more importantly America to stay relevant and competitive in the international marketplace of particle physics.


Multilayered Planar Periodic Subwavelength Microstructures For Generating And Detecting Circularly Polarized Thermal Infrared Radiation, Samuel Lanning Wadsworth Jan 2011

Multilayered Planar Periodic Subwavelength Microstructures For Generating And Detecting Circularly Polarized Thermal Infrared Radiation, Samuel Lanning Wadsworth

Electronic Theses and Dissertations

Generation and detection of circularly-polarized (CP) radiation in the 8- to 12-μm band of the infrared (IR) spectrum is crucial for polarization sensing and imaging scenarios. There is very little naturally occurring CP radiation in the long-wave IR band, so that useful functionalities may be obtained by exploiting preferential radiation and transmission characteristics of engineered metamaterials. Conventional CP devices in the IR utilize birefringent crystals, which are typically bulky and expensive to manufacture. The operation of these devices is generally optimized at a single wavelength. Imaging in the long-wave IR is most often broadband, so that achromatic CP-device behavior is …


Virtual Router Approach For Wireless Ad Hoc Networks, Ai Hua Ho Jan 2011

Virtual Router Approach For Wireless Ad Hoc Networks, Ai Hua Ho

Electronic Theses and Dissertations

Wireless networks have become increasingly popular in recent years. There are two variations of mobile wireless networks: infrastructure mobile networks and infrastructureless mobile networks. The latter are also known as mobile ad hoc network (MANET). MANETs have no fixed routers. Instead, mobile nodes function as relay nodes or routers, which discover and maintain communication connections between source nodes and destination nodes for various data transmission sessions. In other words, an MANET is a self-organizing multi-hop wireless network in which all nodes within a given geographical area participate in the routing and data forwarding process. Such networks are scalable and self-healing. …


Research In High Performance And Low Power Computer Systems For Data-Intensive Environment, Pengju Shang Jan 2011

Research In High Performance And Low Power Computer Systems For Data-Intensive Environment, Pengju Shang

Electronic Theses and Dissertations

According to the data affinity, DAFA re-organizes data to maximize the parallelism of the affinitive data, and also subjective to the overall load balance. This enables DAFA to realize the maximum number of map tasks with data-locality. Besides the system performance, power consumption is another important concern of current computer systems. In the U.S. alone, the energy used by servers which could be saved comes to 3.17 million tons of carbon dioxide, or 580,678 cars {Kar09}. However, the goals of high performance and low energy consumption are at odds with each other. An ideal power management strategy should be able …


Innovative Pollutant Load Monitoring, Eric Gurr Jan 2011

Innovative Pollutant Load Monitoring, Eric Gurr

Electronic Theses and Dissertations

Modern streamflow measuring equipment, water quality sampling techniques and a better understanding of pollutant washoff are continuously being developed as today's society is in critical need of improving water management, minimizing developmental impacts and preventing environmental hazards. In particular, the study of the spatial, temporal and volumetric characteristics of annual pollutant loading caused by variations in precipitation, land use and other anthropogenic factors is of great significance due to their relation to future global water demands. The research presented here falls in three parts. In the first part of the dissertation, an acoustical Doppler velocity profiler installed in a submerged …


Colorado's Large Snow Events' Impact On Tree Ring Growth And Dillon Reservoir, Katrina Leona Marzetta Jan 2011

Colorado's Large Snow Events' Impact On Tree Ring Growth And Dillon Reservoir, Katrina Leona Marzetta

Electronic Theses and Dissertations

Meteorological observations from 1894 through 2010 suggest that 17 historically large snow events occurred in the mountains of Colorado within Denver's water supply region. Of these 16 events, 14 can be identified in precipitation sensitive tree ring records as positive climatic pointer years. If these storms were to occur today, they would have the potential to fill reservoirs in Denver Water's supply system, even after years of sustained drought. These "drought busters" have the potential to refill Dillon Reservoir by increasing average yearly inflow up to 146% of the previous year's inflow. Such drought busters can help Denver recover from …


Trends In Heavy-Duty Diesel Emissions And Analyses Of Colorado's Light-Duty Vehicle Inspection And Maintenance Program, Brent G. Schuchmann Jan 2011

Trends In Heavy-Duty Diesel Emissions And Analyses Of Colorado's Light-Duty Vehicle Inspection And Maintenance Program, Brent G. Schuchmann

Electronic Theses and Dissertations

Emission trends are reported and discussed resulting from the multi-year study of Heavy-Duty Diesel Vehicles (HDDV) at the Port of Los Angeles and at a weigh station in Peralta also in the L.A. basin. Remote sensing data were also collected from the Port of Houston and compared to the data from California. As part of San Pedro Bay Ports Clean Air Action Plan (CAAP) to fast track the turnover rate of cleaner trucks, many truck operators have been subject to modifying their trucks, or have purchased new trucks, with more advanced control technologies to reduce exhaust particulate matter (PM) and …


A Study Of Transient Variations In Cosmic Ray Proton Intensities Using Bess-Polar I Data, Neeharika Thakur Jan 2011

A Study Of Transient Variations In Cosmic Ray Proton Intensities Using Bess-Polar I Data, Neeharika Thakur

Electronic Theses and Dissertations

The intensities of galactic cosmic rays are modulated upon entering the heliosphere. These variations, defined as solar modulations, are classified as long-term or transient modulations based on their durations.

Studies have correlated the transient variations with the characteristics of the solar wind and the interplanetary magnetic field. Therefore, studies of transients augment our understanding of physical processes in the interplanetary medium. Processes causing transient variations may also induce geomagnetic storms. Precise measurements of cosmic ray fluxes during a transient phenomenon will have immense use in validating models of space weather prediction.

BESS (Balloon-borne Experiment with a Superconducting Spectrometer), a US-Japanese …


Approximate Transversals Of Latin Squares, Jon Kyle Pula Jan 2011

Approximate Transversals Of Latin Squares, Jon Kyle Pula

Electronic Theses and Dissertations

A latin square of order n is an n by n array whose entries are drawn from an n-set of symbols such that each symbol appears precisely once in each row and column. A transversal of a latin square is a subset of cells that meets each row, column, and symbol precisely once.

There are many open and difficult questions about the existence and prevalence of transversals. We undertake a systematic study of collections of cells that exhibit regularity properties similar to those of transversals and prove numerous theorems about their existence and structure. We hope that our results …


Simulation, Application, And Resilience Of An Organic Neuromorphic Architecture, Made With Organic Bistable Devices And Organic Field Effect Transistors, Robert A. Nawrocki Jan 2011

Simulation, Application, And Resilience Of An Organic Neuromorphic Architecture, Made With Organic Bistable Devices And Organic Field Effect Transistors, Robert A. Nawrocki

Electronic Theses and Dissertations

This thesis presents work done simulating a type of organic neuromorphic architecture, modeled after Artificial Neural Network, and termed Synthetic Neural Network, or SNN. The first major contribution of this thesis is development of a single-transistor-single-organic-bistable-device-per-input circuit that approximates behavior of an artificial neuron. The efficacy of this design is validated by comparing the behavior of a single synthetic neuron to that of an artificial neuron as well as two examples involving a network of synthetic neurons. The analysis utilizes electrical characteristics of polymer electronic elements, namely Organic Bistable Device and Organic Field Effect Transistor, created in the laboratory at …


Minimax And Maximin Fitting Of Geometric Objects To Sets Of Points, Yan B. Mayster Jan 2011

Minimax And Maximin Fitting Of Geometric Objects To Sets Of Points, Yan B. Mayster

Electronic Theses and Dissertations

This thesis addresses several problems in the facility location sub-area of computational geometry. Let S be a set of n points in the plane. We derive algorithms for approximating S by a step function curve of size k < n, i.e., by an x-monotone orthogonal polyline ℜ with k < n horizontal segments. We use the vertical distance to measure the quality of the approximation, i.e., the maximum distance from a point in S to the horizontal segment directly above or below it. We consider two types of problems: min-ε, where the goal is to minimize the error for a …


On Diamond-Alpha Dynamic Equations And Inequalities, Nuriye Atasever Jan 2011

On Diamond-Alpha Dynamic Equations And Inequalities, Nuriye Atasever

Electronic Theses and Dissertations

In view of the recently developed theory of calculus for dynamic equations on time scales (which unifies discrete and continuous systems), in this project we give some of the basics of the extension of the theory to the combined delta (forward) and nabla (backward) derivatives. In this set up the newly developed theory of diamond-alpha derivatives are analyzed through some equation and inequality properties. In particular Opial type Diamond-alpha dynamic Inequalities are discussed in this context and recently developed results and their improved versions are given in this work.


Sequence Stratigraphy And Source Rock Characterization Of Organic-Rich Shales Within The Jurassic Smackover Formation, Conecuh Embayment, Alabama, U.S.A., Patrick W. Niemeyer Jan 2011

Sequence Stratigraphy And Source Rock Characterization Of Organic-Rich Shales Within The Jurassic Smackover Formation, Conecuh Embayment, Alabama, U.S.A., Patrick W. Niemeyer

Electronic Theses and Dissertations

The Upper Jurassic Smackover Formation is a prolific producer of hydrocarbons known throughout the U.S. Gulf Coast region, and typically consists of carbonate lime mudstones, ooid grainstones, microbial boundstones, and dolostones. Recent exploration efforts in the Conecuh Embayment of southwest Alabama revealed the presence of two black, siliciclastic shale layers containing abundant terrestrially derived organic matter within the Smackover Formation. The shale layers provide interesting insight into the sequence stratigraphy and paleoclimate of the Conecuh Embayment, and the source of the hydrocarbons accumulated there. The two shale layers reach a maximum thickness of 50 feet along the longitudinal axis of …


Zero Divisor Graphs And Poset Decomposition, Bette Catherine Putnam Jan 2011

Zero Divisor Graphs And Poset Decomposition, Bette Catherine Putnam

Electronic Theses and Dissertations

A graph is associated to any commutative ring R where the vertices are the non-zero zero divisors of R with two vertices adjacent if x · y = 0. The zero-divisor graph has also been studied for various algebraic stuctures such as semigroups and partially ordered sets. In this paper, we will discuss some known results on zero-divisor graphs of posets as well as the concept of compactness as it relates to zero-divisor graphs. We will dicuss equivalence class graphs defined on the elements of various algebraic structures and also the reduced graph defined on the vertices of a compact …


Dqtunepipe: A Set Of Python Tools For Ligo Detector Characterization, Brooke Anne Rankins Jan 2011

Dqtunepipe: A Set Of Python Tools For Ligo Detector Characterization, Brooke Anne Rankins

Electronic Theses and Dissertations

When LIGO's interferometers are in operation, many auxiliary data channels monitor and record the state of the instruments and surrounding environmental conditions. Analyzing these channels allows LIGO scientists to evaluate the quality of the data collected and veto data segments of poor quality. A set of scripts were built up in an ad hoc fashion, sometimes with limited documentation, to assist in this analysis. In this thesis, we present DQTunePipe , a set of Python modules to replace these scripts and aid in the detector characterization of the LIGO instruments. The use of Python makes the analysis method more compatible …


High Temperature And Pressure Resonant Ultrasound Spectroscopy Study Of Metal Hydride Systems, Rasheed Adebisi Jan 2011

High Temperature And Pressure Resonant Ultrasound Spectroscopy Study Of Metal Hydride Systems, Rasheed Adebisi

Electronic Theses and Dissertations

The goal of this dissertation is to characterize the elastic properties of palladium hydride near the tri-critical point as a classic example of metal hydride systems using the resonant ultrasound spectroscopy. A high temperature and high pressure resonant ultrasound spectroscopy system which include the RUS cell and the direct contact transducer set-up was designed and constructed. The temperature and pressure dependent of elastic moduli of palladium hydride and palladium crystals were obtained at five isotherms near the critical temperature, 293 °C and for pressure range of 250–500 psi. A strong softening of the shear modulus was observed at temperature and …


Memory Access Patterns For Cellular Automata Using Gpgpus, James Michael Balasalle Jan 2011

Memory Access Patterns For Cellular Automata Using Gpgpus, James Michael Balasalle

Electronic Theses and Dissertations

Today's graphical processing units have hundreds of individual processing cores that can be used for general purpose computation of mathematical and scientific problems. Due to their hardware architecture, these devices are especially effective when solving problems that exhibit a high degree of spatial locality. Cellular automata use small, local neighborhoods to determine successive states of individual elements and therefore, provide an excellent opportunity for the application of general purpose GPU computing. However, the GPU presents a challenging environment because it lacks many of the features of traditional CPUs, such as automatic, on-chip caching of data. To fully realize the potential …


Theoretical Characterization Of Non-Covalent Weakly Bound Clusters Through The Application Of Sophisticated Computational Quantum Chemistry Methodologies And The Development Of Integrated Fragmentation Techniques, Desiree Bates Jan 2011

Theoretical Characterization Of Non-Covalent Weakly Bound Clusters Through The Application Of Sophisticated Computational Quantum Chemistry Methodologies And The Development Of Integrated Fragmentation Techniques, Desiree Bates

Electronic Theses and Dissertations

Non-covalent, weakly bound clusters have been and remain of significant interest to many researchers. However, with computational studies, accurate description of these interactions requires sophisticated electronic structure methods employing large basis sets. This methodology becomes extremely computationally demanding as the size of the system increases. This work presents benchmark data and explores methods for obtaining highly accurate ab initio results for larger systems at greatly reduced computational costs. CCSD(T) complete basis set limit interaction energies are presented for a variety of parallel-slipped π...π dimers and low-lying isomers of (h2o)6. The calibration of a 2-body:Many-body fragmentation method …