Zobrazeno 1 - 10
of 37
pro vyhledávání: '"E J, Walker"'
Autor:
Cory C. Pye, Victoria E. J. Walker
Publikováno v:
The Journal of Physical Chemistry A. 115:13007-13015
The geometries, energies, and vibrational frequencies of various isomers of XO(4)(m-)(H2O)n, x = Cl, Br, Se, As, V; n = 0-6, m = 1-3 are calculated at various levels up to MP2/6-31+G*. These properties are studied as a function of increasing cluster
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ebd08edd36567f4bd19a136210551dae
https://doi.org/10.1021/jp204783g
https://doi.org/10.1021/jp204783g
Publikováno v:
Chemical Physics Letters. 506:243-247
Inspired by the helical structure as well as the conductivity of DNA and substituted polyphenylacetylenes, a new kind of substituted polyacetylene is introduced. More specifically, polycytosineacetylene ((RC CH) n , R = cytosine) with a trans-polyace
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3a4dd4eb816445a345383dbce1d329d
https://doi.org/10.1016/j.cplett.2011.03.018
https://doi.org/10.1016/j.cplett.2011.03.018
Publikováno v:
The Journal of Physical Chemistry B. 115:3136-3145
Polaron formation in poly(G)-poly(C) cations is investigated with density functional theory (DFT) and molecular mechanics (MM) employing a two-layer ONIOM method. In these calculations, the high layer, composed of all complementary base pairs, is tre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e1ca97ed7a19be24e8800a1944f0271b
https://doi.org/10.1021/jp108818u
https://doi.org/10.1021/jp108818u
Publikováno v:
The Journal of Physical Chemistry A. 114:10315-10319
The displacement of the iron(II) atom from the porphyrin plane in iron(II) porphyrin complexes is investigated with respect to the spin state of iron(II) employing density functional theory. In this study the quantum theory of atoms in molecules (QTA
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28250e3cc3da02d6d1161d9538dc8d2b
https://doi.org/10.1021/jp105842k
https://doi.org/10.1021/jp105842k
Autor:
Sébastien E. J. Walker
Publikováno v:
Oxonomics. 3:40-44
In this article I assess the design of the EU Emissions Trading Scheme and the performance of its first Phase. The article argues that, contrary to common belief, Phase I fulfilled its objectives. It then discusses the changes that have been made to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf2486c27e2c969c4df618fd59893cbb
https://doi.org/10.1111/j.1752-5209.2008.00025.x
https://doi.org/10.1111/j.1752-5209.2008.00025.x
Autor:
E. J. Walker, P. J. Vlok
Publikováno v:
Lecture Notes in Mechanical Engineering ISBN: 9783319155357
A scheduled shutdown is a period during which all or some of the production processes are stopped to allow for maintenance to be performed on machinery and equipment. Many organizations make use of scheduled shutdowns to reduce the risk of equipment
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e994b0927d96f077b12ebabddf66ad2a
https://doi.org/10.1007/978-3-319-15536-4_28
https://doi.org/10.1007/978-3-319-15536-4_28
Publikováno v:
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 454:1781-1803
In this paper we consider the diffraction of sound by a semi–infinite planar crack arbitrarily oriented in a homogeneous anisotropic linearly elastic solid. The problem is formulated exactly as an integro–differential equation with a difference k
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b07b7cf3dcef185bb9de56ea59bf8ae7
https://doi.org/10.1098/rspa.1998.0232
https://doi.org/10.1098/rspa.1998.0232
Publikováno v:
Aerosol Science and Technology. 17:1-8
This report describes experimental work in which three separate physical techniques have been combined to produce a portable monitor for airborne fibers. Air containing the fibers to be monitored is drawn through a rectangular, slotted inlet into the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6cd8349a57bb20cac8318dcd027f2dbf
https://doi.org/10.1080/02786829208959555
https://doi.org/10.1080/02786829208959555
We acknowledge the Private Practice Trust Fund at The Canberra Hospital for financial support and the patients and volunteers who participated in this study.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::224184e0b654fb5bd8531f5b2112c2e2
https://europepmc.org/articles/PMC1798014/
https://europepmc.org/articles/PMC1798014/
We show that a reformulation of the ADM equations in general relativity, which has dramatically improved the stability properties of numerical implementations, has a direct analogue in classical electrodynamics. We numerically integrate both the orig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a24e2a6d1d51d94d600a4899d6394817