Výsledky vyhledávání

Atomic Spectral-Product Representations of Molecular Electronic Structure: Metric Matrices and Atomic-Product Composition of Molecular Eigenfunctions

Autor: J. D. Mills, P. W. Langhoff, Carl Winstead, Robert J. Hinde, G. A. Gallup, M. Ben-Nun, J. A. Boatz

Publikováno v: The Journal of Physical Chemistry A. 113:7687-7697

Recent progress is reported in development of ab initio computational methods for the electronic structures of molecules employing the many-electron eigenstates of constituent atoms in spectral-product forms. The approach provides a universal atomic-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cf37e8743b90470dd41c037a79e3957
https://doi.org/10.1021/jp901427x

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Quantum-Mechanical Definition of Atoms and Chemical Bonds in Molecules

Autor: P W Langhoff, J. D. Mills, G A Gallup, J. A. Boatz

The apparent impossibility of making meaningful assignments of indistinguishable electrons to particular atomic nuclei in a chemical aggregate has seemingly precluded quantum-mechanical definition of fragment atomic Hamiltonian operators in a molecul

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6abcb0a3aafe3a2d107d5441c5701146
https://doi.org/10.21236/ada626631

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Vibrational spectra of cyclic C6 in solid argon

Autor: José Domingo Presilla-Márquez, J. D. Mills, J. A. Sheehy, Patrick G. Carrick, C. W. Larson

Publikováno v: Chemical Physics Letters. 274:439-444

Vapors from solid and powdered carbon emitted from an oven cycled between 2000 and 3000 K were co-condensed with argon onto a CsI substrate maintained at 10 K. The cycling process produced a matrix “sandwich” with regions of high carbon density a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bb89a6a536e18324980733b68a082f7c
https://doi.org/10.1016/s0009-2614(97)00700-8

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Theoretical Determination of the Heats of Formation of Prospective Strained-Ring Rocket Fuels

Autor: J. A. Boatz, J. D. Mills

The gas-phase heats of formation of seven unusual strained and substituted organic molecules ranging in size from C6H8 to C17H24N4O8 have been determined using the parallel version of the GAMES S quantum chemistry code. Molecular energies obtained by

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::39d014fb042e7d353ddab0e2b65cf6fb
https://doi.org/10.21236/ada397872

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Inhibition of feeding responses by the molluscicide, metaldehyde

Autor: C R, McCrohan, J D, Mills, S C, Cheng, S E, Bailey

Publikováno v: Acta biologica Hungarica. 46(2-4)

Metaldehyde, applied to the lips, inhibits spontaneous biting movements and disrupts rhythmic feeding motor output. Applied directly to the CNS, it induces a region of negetive slope conductance in the steady-state I-V curve, which could contribute t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::4edff550850fb9773b6500e95d111c2d
https://pubmed.ncbi.nlm.nih.gov/8853694

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034 A randomised comparison of TR band and Radistop haemostatic compression devices after transradial coronary intervention

Autor: Raphael A. Perry, J D Mills, M Pauriah, Rod Stables, John L. Morris, Sudhir Rathore, M Hakeem, Nicholas D. Palmer

Publikováno v: Heart. 96:A21.1-A21

Introduction The transradial route for coronary intervention has proven to be safe, effective, and widely applicable in different clinical situations. Several compressive haemostatic devices have been introduced which have shown to be safe and are ef

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::508c3c83038d81150d100d6f3c210487
https://doi.org/10.1136/hrt.2010.195958.8

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032 Impact of length and hydrophilic coating of the introducer sheath on radial artery spasm during transradial coronary intervention: a randomised study

Autor: J D Mills, M Pauriah, Raphael A. Perry, Abdul Hakeem, Sudhir Rathore, Rod Stables, Nicholas D. Palmer, John L. Morris

Publikováno v: Heart. 96:A20.1-A20

Objective To assess the impact of length and hydrophilic coating of the introducer sheath on radial artery spasm, radial artery occlusion and local vascular complications in patients undergoing transradial coronary procedures. Patients and Methods Se

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::067c91d8f68fc81176bf6826ca80c4a5
https://doi.org/10.1136/hrt.2010.195958.6

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