Results 21 to 30 of about 738 (133)
The topology of fullerenes [PDF]
, 2014 Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces.
Avery, James Emil +2 more
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Advanced Science, EarlyView.TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin +11 more
wiley +1 more source
Ante Graovac – Life and Works [PDF]
, 2016 Ivan Gutman, Biserka Pokrić, Damir Vukičević (Eds.) Ante Graovac – Life and Works Mathematical Chemistry Monographs, Vol. 16 Faculty of Science, University of Kragujevac, Kragujevac (Serbia), 2014 306 + IV pages ◦ ISBN 978-86-6009-021-0 This work is ...
Nenad Raos
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The quantum unconscious and the observant consciousness [PDF]
, 2016 Based on the philosophy of Henri Bergson and the contemporary developments of Quantum Physics, I sought to demonstrate how these developments are incompatible with a positivist vision of reality, which is still influential in the scientific community ...
Lucas, Rui Freire
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'... con uno inbasamento et ornamento alto': The rhetoric of the pedestal c. 1430-1550 [PDF]
, 2011 This essay analyses the function, developing vocabularies, and prominence of Renaissance pedestals in order to gauge how they signified in overlapping civic, religious, and social contexts.
Wright, A
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Dynamic Covalent Radical Recombination for the Assembly of Tuneable Responsive Porous Organic Cages
Angewandte Chemie International Edition, EarlyView.Dynamic covalent chemistry (DCC) based on reversible radical recombination enables the assembly of responsive, C─C‐linked organic cages. Substituent‐controlled aryldicyanomethyl radicals form discrete, porous architectures with tuneable topology of Tri2 and Tri4 cages, gas selectivity, chromism, and self‐healing behaviour, establishing radical‐based ...
Yannic Hartmann +6 more
wiley +1 more source
Motion as manipulation: Implementation of motion and force analogies by event-file binding and action planning\ud [PDF]
, 2011 Tool improvisation analogies are a special case of motion and force analogies that appear to be implemented pre-conceptually, in many species, by event-file binding and action planning.
Fields, Chris
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Estimating the total π-electron energy [PDF]
, 2013 The paper gives a short survey of the most important lower and upper bounds for the total π-electron energy, i.e., the graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs.
das, kinkar, Gutman, Ivan
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Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods
Chemistry – A European Journal, EarlyView.We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic +6 more
wiley +1 more source
Gravity’s Rainbow and the Postmodern Crisis in Narrative [PDF]
, 2014 This Thesis explores how Lyotard's notion of narrative and meta-narrative work in Thomas Pynchon's novel Gravity Rainbow in particular how it works to interpret history.No embargoAcademic Major ...
Cardwell, Michael
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