Search Results - "Thomas, E"

Material Flow Analysis from Origin to Evolution by Graedel, Thomas E

“…Material flow analysis (MFA), a central methodology of industrial ecology, quantifies the ways in which the materials that enable modern society are used,…”
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Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment by Artz, Jens, Müller, Thomas E, Thenert, Katharina, Kleinekorte, Johanna, Meys, Raoul, Sternberg, André, Bardow, André, Leitner, Walter

“…CO2 conversion covers a wide range of possible application areas from fuels to bulk and commodity chemicals and even to specialty products with biological…”
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Narcolepsy by Scammell, Thomas E

“…Narcolepsy affects approximately 1 in 2000 people but is often not correctly diagnosed. This review article summarizes recent discoveries regarding the…”
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Modeling and Simulations of Polymers: A Roadmap by Gartner, Thomas E, Jayaraman, Arthi

“…Molecular modeling and simulations are invaluable tools for the polymer science and engineering community. These computational approaches enable predictions…”
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Hydroamination: Direct Addition of Amines to Alkenes and Alkynes by Müller, Thomas E, Hultzsch, Kai C, Yus, Miguel, Foubelo, Francisco, Tada, Mizuki

“…The hydroanimation reactions of alkenes, alkynes, and amines are examined. The development of active catalysts for hydroamination is still needed…”
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Reemergence of chikungunya virus by Morrison, Thomas E

“…Chikungunya virus (CHIKV) is a mosquito-transmitted alphavirus that causes acute fever and acute and chronic musculoskeletal pain in humans. Since 2004, CHIKV…”
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Cluster failure: Why fMRI inferences for spatial extent have inflated false-positive rates by Eklund, Anders, Nichols, Thomas E., Knutsson, Hans

“…The most widely used task functional magnetic resonance imaging (fMRI) analyses use parametric statistical methods that depend on a variety of assumptions. In…”
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Age-related mortality explains life history strategies of tropical and temperate songbirds by Martin, Thomas E.

“…Life history theory attempts to explain why species differ in offspring number and quality, growth rate, and parental effort. I show that unappreciated…”
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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data by Roe, Daniel R, Cheatham, Thomas E

“…We describe PTRAJ and its successor CPPTRAJ, two complementary, portable, and freely available computer programs for the analysis and processing of time series…”
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Signatures of a liquid–liquid transition in an ab initio deep neural network model for water by Gartner, Thomas E., Zhang, Linfeng, Piaggi, Pablo M., Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.

“…The possible existence of a metastable liquid–liquid transition (LLT) and a corresponding liquid–liquid critical point (LLCP) in supercooled liquid water…”
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Water electrolysis: Divide and conquer by Mallouk, Thomas E

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Nearly Optimal Quantum Algorithm for Estimating Multiple Expectation Values by Huggins, William J, Wan, Kianna, McClean, Jarrod, O'Brien, Thomas E, Wiebe, Nathan, Babbush, Ryan

“…Many quantum algorithms involve the evaluation of expectation values. Optimal strategies for estimating a single expectation value are known, requiring a…”
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Quantum phase estimation of multiple eigenvalues for small-scale (noisy) experiments by O'Brien, Thomas E, Tarasinski, Brian, Terhal, Barbara M

“…Quantum phase estimation (QPE) is the workhorse behind any quantum algorithm and a promising method for determining ground state energies of strongly…”
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Periodontitis and atherosclerotic cardiovascular disease: consensus report of the Joint EFP/AAP Workshop on Periodontitis and Systemic Diseases by Tonetti, Maurizio S., Van Dyke, Thomas E.

“…Background This consensus report is concerned with the association between periodontitis and atherosclerotic cardiovascular disease (ACVD). Periodontitis is a…”
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Assessing the Current State of Amber Force Field Modifications for DNA by Galindo-Murillo, Rodrigo, Robertson, James C, Zgarbová, Marie, Šponer, Jiří, Otyepka, Michal, Jurečka, Petr, Cheatham, Thomas E

“…The utility of molecular dynamics (MD) simulations to model biomolecular structure, dynamics, and interactions has witnessed enormous advances in recent years…”
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Mental distress among U.S. adults during the COVID‐19 pandemic by Twenge, Jean M., Joiner, Thomas E.

“…Objective This study aims to document the impact of the COVID‐19 pandemic on mental health. Method We compared a nationally representative online sample of…”
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Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects by Marsalek, Ondrej, Markland, Thomas E

“…Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes…”
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Reactivity and Synthetic Applications of Multicomponent Petasis Reactions by Wu, Peng, Givskov, Michael, Nielsen, Thomas E

“…The Petasis boron–Mannich reaction, simply referred to as the Petasis reaction, is a powerful multicomponent coupling reaction of a boronic acid, an amine, and…”
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Statistical Challenges in “Big Data” Human Neuroimaging by Smith, Stephen M., Nichols, Thomas E.

“…Smith and Nichols discuss “big data” human neuroimaging studies, with very large subject numbers and amounts of data. These studies provide great opportunities…”
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Emergence of Uranium as a Distinct Metal Center for Building Intrinsic X‐ray Scintillators by Wang, Yaxing, Yin, Xuemiao, Liu, Wei, Xie, Jian, Chen, Junfeng, Silver, Mark A., Sheng, Daopeng, Chen, Lanhua, Diwu, Juan, Liu, Ning, Chai, Zhifang, Albrecht‐Schmitt, Thomas E., Wang, Shuao

“…The combination of high atomic number and high oxidation state in UVI materials gives rise to both high X‐ray attenuation efficiency and intense green…”
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