Search Results - "Fowler, Patrick W"
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Tracking heavy water (D₂O) incorporation for identifying and sorting active microbial cells
Published in Proceedings of the National Academy of Sciences - PNAS (13-01-2015)“…Microbial communities are essential to the function of virtually all ecosystems and eukaryotes, including humans. However, it is still a major challenge to…”
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2
Can percolation theory explain the gelation behavior of diblock copolymer worms?
Published in Chemical science (Cambridge) (2018)“…It is well known that polymerization-induced self-assembly (PISA) offers an efficient synthetic route for the production of highly anisotropic diblock…”
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Determining the Effective Density and Stabilizer Layer Thickness of Sterically Stabilized Nanoparticles
Published in Macromolecules (26-07-2016)“…A series of model sterically stabilized diblock copolymer nanoparticles has been designed to aid the development of analytical protocols in order to determine…”
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The “Anthracene Problem”: Closed-Form Conjugated-Circuit Models of Ring Currents in Linear Polyacenes
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17-11-2011)“…Conjugated-circuit models for induced π ring currents differ in the types of circuit that they include and the weights attached to them. Choice of circuits for…”
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Correlation of Delocalization Indices and Current-Density Maps in Polycyclic Aromatic Hydrocarbons
Published in Chemistry : a European journal (27-03-2008)“…Using multicentre delocalization indices, the ring current maps of a large set of polycyclic aromatic hydrocarbons (PAH) are reconstructed and compared with ab…”
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Structural interconnections and the role of heptagonal rings in endohedral trimetallic nitride template fullerenes
Published in Journal of computational chemistry (30-07-2016)“…Recent experiments indicate that fullerene isomers outside the classical definition can also encapsulate metallic atoms or clusters to form endohedral…”
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Stable Isotope Probing and Raman Spectroscopy for Monitoring Carbon Flow in a Food Chain and Revealing Metabolic Pathway
Published in Analytical chemistry (Washington) (05-02-2013)“…Accurately measuring carbon flows is a challenge for understanding processes such as diverse intracellular metabolic pathways and predator-prey interactions…”
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Equiauxetic Hinged Archimedean Tilings
Published in Symmetry (Basel) (01-02-2022)“…There is increasing interest in two-dimensional and quasi-two-dimensional materials and metamaterials for applications in chemistry, physics and engineering…”
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Partitioning Hückel–London Currents into Cycle Contributions
Published in Chemistry an international journal (01-12-2021)“…Ring-current maps give a direct pictorial representation of molecular aromaticity. They can be computed at levels ranging from empirical to full ab initio and…”
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10
A Simple Model of Ballistic Conduction in Multi-Lead Molecular Devices
Published in Applied sciences (01-12-2021)“…A fully analytical model is presented for ballistic conduction in a multi-lead device that is based on a π-conjugated carbon framework attached to a single…”
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Double Aromaticity and Ring Currents in All‐Carbon Rings
Published in Chemistry : a European journal (13-07-2009)“…Double aromaticity of neutral, planar rings of carbon atoms is demonstrated through visualisation of the induced ring currents, mapped at the ipsocentric…”
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Applications of symmetry in point–line–plane frameworks for CAD
Published in Journal of computational design and engineering (01-04-2021)“…Abstract Computer-aided design (CAD) typically deals with geometries (points, lines, and planes) subject to constraints on distances and angles. Simple…”
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Effect on Ring Current of the Kekulé Vibration in Aromatic and Antiaromatic Rings
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24-11-2011)“…Derivative current–density maps are used to follow the changes in ring-current (and hence, on the magnetic criterion, the changes in aromaticity) with the…”
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14
When is a symmetric body-hinge structure isostatic?
Published in International journal of solids and structures (01-06-2014)“…A symmetry-extended mobility rule is formulated for body-hinge frameworks and used to derive necessary symmetry conditions for isostatic (statically and…”
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15
Designing Paramagnetic Circulenes
Published in Angewandte Chemie International Edition (01-01-2007)“…Paramagnetic closed‐shell neutral molecules were devised by using the ipsocentric approach to calculation and interpretation of ring current. In…”
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Counter-Rotating Ring Currents in Coronene and Corannulene
Published in Angewandte Chemie International Edition (19-01-2001)“…Explicit ab initio current‐density maps contradict the annulene‐within‐an‐annulene model of [n]circulenes: in both coronene and corannulene the expected…”
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A graph-theoretical model for ballistic conduction in single-molecule conductors
Published in Pure and applied chemistry (27-04-2011)“…The tight-binding version of the source-and-sink potential (SSP) model of ballistic conduction can be cast in a graph-theoretical form where the transmission…”
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Structure and Bonding in B6 - and B6: Planarity and Antiaromaticity
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06-03-2003)“…The electronic structure and chemical bonding of B6 - and B6 were investigated using anion photoelectron spectroscopy and ab initio calculation. Vibrationally…”
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Vertex Spirals in Fullerenes and Their Implications for Nomenclature of Fullerene Derivatives
Published in Chemistry : a European journal (01-01-2007)“…The IUPAC nomenclature of fullerene derivatives is based on the vertex spiral, but not all fullerenes possess one. There are 1495 isomers with ≤20 vertices (66…”
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Base-Catalyzed Dehydration of 3‑Substituted Benzene cis-1,2-Dihydrodiols: Stabilization of a Cyclohexadienide Anion Intermediate by Negative Aromatic Hyperconjugation
Published in Journal of the American Chemical Society (29-08-2012)“…Evidence that a 1,2-dihydroxycyclohexadienide anion is stabilized by aromatic “negative hyperconjugation” is described. It complements an earlier inference of…”
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