Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Keyword
-
- Chemistry (9)
- Reflections (2)
- Atom and radical reactions (1)
- Chain reactions (1)
- Chemistry, Physics, Optics (1)
-
- Disorder in main residue (1)
- Dodecakis (1)
- Electrochemically active guests (1)
- Fullerene (1)
- Grazing-incidence small-angle scattering (1)
- Inversion Center (1)
- Kiessig fringe (1)
- Ligands (1)
- Mirror Plane (1)
- Molecule-molecule reactions (1)
- Multiple scattering (1)
- Novel oxacalixarene hosts (1)
- Optical data processing (1)
- Optical design of instruments (1)
- Optical fabrication (1)
- Polymeric Complex (1)
- Radiometry (1)
- Single Crystal X-Ray (1)
- Single-Crystal X-ray (1)
- Single-crystal X-ray study (1)
- Spectrometers and spectroscopic instrumentation (1)
- Thin film (1)
- Three Dimensional Coordination Polymer (1)
- Viron (1)
- Virus (1)
Articles 1 - 11 of 11
Full-Text Articles in Physical Sciences and Mathematics
1,3,7,10,14,17,21,28,31,42,52,55-DodecaKis(TrifluoroMethYl)- 1,3,7,10,14,17,21,28,31,42,52,55-DodecaHydro(C60-IH)[5,6]Fullerene, Natalia B. Shustova Prof. Dr., O.P. Anderson, O. V. Boltalina, S. H. Strauss, I. E. Kareev
1,3,7,10,14,17,21,28,31,42,52,55-DodecaKis(TrifluoroMethYl)- 1,3,7,10,14,17,21,28,31,42,52,55-DodecaHydro(C60-IH)[5,6]Fullerene, Natalia B. Shustova Prof. Dr., O.P. Anderson, O. V. Boltalina, S. H. Strauss, I. E. Kareev
Faculty Publications
The title compound, C72F36, is one of four isomers of C60(CF3)12 for which crystal structures have been obtained. The fullerene molecule has an idealized Ih C60 core with the 12 CF3 groups arranged in an asymmetric fashion on two ribbons of edge-sharing C6(CF3)2 hexagons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp 3 mp,pmp structure. There are no cage Csp 3 …
Structural Characterization Using The Multiple Scattering Effects In Grazing-Incidence Small-Angle X-Ray Scattering, Byeongdu Lee, Chieh-Tsung Lo, P. Thiyagarajan, Dong R. Lee, Zhongwei Niu, Qian Wang
Structural Characterization Using The Multiple Scattering Effects In Grazing-Incidence Small-Angle X-Ray Scattering, Byeongdu Lee, Chieh-Tsung Lo, P. Thiyagarajan, Dong R. Lee, Zhongwei Niu, Qian Wang
Faculty Publications
The multiple scattering effects present in grazing-incidence small-angle X-ray scattering (GISAXS) data and interference between them are addressed theoretically as well as experimentally with measurement of a series of patterns at different incident angles, referred to as `incident-angle-resolved GISAXS' (IAR-GISAXS). X-ray reflectivity (XR), GISAXS and IAR-GISAXS of virus particles on Si-substrate supported-polystyrene films have been measured and all the data have been analyzed with appropriate formalisms. It was found that under certain conditions it is possible to extract the correct structural features of the materials from the GISAXS/IAR-GISAXS data using the kinematic SAXS formalisms, without the need to use the …
Poly[(Nitrato-KO)Tris((Μ3-1h-1,2,4-Triazolato)Dizinc(Ii)]: A Three-Dimensional Coordination Polymer, Josephy M. Ellsworth, Mark D. Smith, Hans-Conrad Zur Loye
Poly[(Nitrato-KO)Tris((Μ3-1h-1,2,4-Triazolato)Dizinc(Ii)]: A Three-Dimensional Coordination Polymer, Josephy M. Ellsworth, Mark D. Smith, Hans-Conrad Zur Loye
Faculty Publications
In the title compound, [Zn2(C2H2N3)3(NO3)], there are two unique Zn atoms, both with site symmetry m. One forms a ZnN3O tetrahedron and the other a ZnN6 octahedron. One and a half 1H-1,2,4-triazolate ligands, with the half-ligand located on a mirror plane, and a disordered nitrate anion complete the asymmetric unit of the structure. The polymeric connectivity is three-dimensional.
Inclusion Of Electrochemically Active Guests By Novel Oxacalixarene Hosts, Daniel Sobransingh, Mahender B. Dewal, Jacob Hiller, Mark D. Smith, Linda S. Shimizu
Inclusion Of Electrochemically Active Guests By Novel Oxacalixarene Hosts, Daniel Sobransingh, Mahender B. Dewal, Jacob Hiller, Mark D. Smith, Linda S. Shimizu
Faculty Publications
We demonstrate for the first time the utility of oxacalixarenes as hosts and investigate the forces that influence the thermodynamics of binding.
Poly[Μ2-Nitrato-(Μ4-Pyrazine-2-Carboxylato)Disilver(I)], Kathryn L. Seward, Joseph M. Ellsworth, Zeeshan M. Khaliq, Hans-Conrad Zur Loye
Poly[Μ2-Nitrato-(Μ4-Pyrazine-2-Carboxylato)Disilver(I)], Kathryn L. Seward, Joseph M. Ellsworth, Zeeshan M. Khaliq, Hans-Conrad Zur Loye
Faculty Publications
The title compound, [Ag2(C5H3N2O2)(NO3)]n, is a three-dimensional coordination polymer containing two-dimensional slabs held together by bridging nitrate groups. AgNO4 and AgNO5 silver coordination polyhedra arise. Weak argentophilic interactions [AgAg = 3.0686 (7) Å] occur in the crystal structure.
Computation Of Correlation Functions And Wave Function Projections In The Context Of Quantum Trajectory Dynamics, Sophya Garashchuk
Computation Of Correlation Functions And Wave Function Projections In The Context Of Quantum Trajectory Dynamics, Sophya Garashchuk
Faculty Publications
The de Broglie-Bohm formulation of the Schrödinger equation implies conservation of the wave function probability density associated with each quantum trajectory in closed systems. This conservation property greatly simplifies numerical implementations of the quantum trajectory dynamics and increases its accuracy. The reconstruction of a wave function, however, becomes expensive or inaccurate as it requires fitting or interpolation procedures. In this paper we present a method of computing wave packet correlation functions and wave function projections, which typically contain all the desired information about dynamics, without the full knowledge of the wave function by making quadratic expansions of the wave function …
Precision In Imaging Multivariate Optical Computing, Michael N. Simcock, Michael L. Myrick
Precision In Imaging Multivariate Optical Computing, Michael N. Simcock, Michael L. Myrick
Faculty Publications
Multivariate optical computing (MOC) is a method of performing chemical analysis using a multilayer thin-film structure known as a multivariate optical element (MOE). Recently we have been advancing MOC for imaging problems by using an imaging MOE (IMOE) in a normal-incidence geometry and employing normalization by the 1-norm. There are several important differences between the previously described 45° and the normal-incidence imaging, one of which is the measurement precision due to photon counting. We compare this precision to 45° MOC. We also discuss how MOE models with similar values of standard errors of calibration and prediction and similar gain values …
Trisodium Dicalcium Bismuth Hexaoxide, Irina V. Puzdrjakova, Rene B. Macquart, Mark D. Smith, Hans-Conrad Zur Loye
Trisodium Dicalcium Bismuth Hexaoxide, Irina V. Puzdrjakova, Rene B. Macquart, Mark D. Smith, Hans-Conrad Zur Loye
Faculty Publications
Single crystals of the title compound, Na3Ca2BiO6, were grown from a high-temperature reactive flux solution of Na2CO3. Na3Ca2BiO6 crystallizes as an ordered rock-salt structure (space group Fddd), in which the octahedral holes in the oxide array are filled by an ordered 3:2:1 arrangement of Na+, Ca2+ and Bi5+ cations. All atoms except for one O atom lie on special positions; site symmetries are as follows: Bi 222, Ca 2, Na 222 and 2, O 2.
Poly[Diaqua(Μ4-3-Fluorophthalato-Κ4O:O:O':O'')Cadmium(Ii)], Diana Rishmawi, Katie Lewis, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye
Poly[Diaqua(Μ4-3-Fluorophthalato-Κ4O:O:O':O'')Cadmium(Ii)], Diana Rishmawi, Katie Lewis, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye
Faculty Publications
The crystal structure of the title compound, [Cd(C8H3FO4)(H2O)2]n, consists of polymeric sheets formed by the bridging of octahedrally coordinated CdII by carboxylate O atoms of the 3-fluorophthalate (3-fpt2-) ligand. The layers exhibit hydrogen bonding between each of two coordinated water molecules and two O atoms of the ligand. Adjacent sheets are connected through - interactions.
Catena-Poly[[Bis(Α-Thenoyltrifluoroacetonato-Κ2O,O')Copper(Ii)]-Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene-Κ2N:N'], William J. Perkins, Tamar Maxwell, Ken B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye
Catena-Poly[[Bis(Α-Thenoyltrifluoroacetonato-Κ2O,O')Copper(Ii)]-Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene-Κ2N:N'], William J. Perkins, Tamar Maxwell, Ken B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye
Faculty Publications
The title compound, [Cu(C8H4F3O2S)2(C12H10N4)]n or [Cu(tta)2(L2)2]n (L2 = 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene and tta = -thenoyltrifluoroacetonate), consists of undulating chains containing two crystallographically distinct CuII centers that are each located on inversion centers. Each CuII center exhibits distorted octahedral coordination provided by two pyridyl N atoms from two equivalent L2 ligands and four O atoms from two equivalent tta ligands. The chains interact through weak C-FH-C contacts.
Catena-Poly[[Diaquadinitratozinc(Ii)]Bis(Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene)], Shakoya Paulin, Pierre Kelly, Kenneth B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye
Catena-Poly[[Diaquadinitratozinc(Ii)]Bis(Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene)], Shakoya Paulin, Pierre Kelly, Kenneth B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye
Faculty Publications
The polymeric title complex, [Zn(NO3)2(C24H20N8)(H2O)2]n, features distorted ZnN2O4 octahedra with each ZnII atom being located on an inversion center. Adjacent Zn ions are doubly bridged by two equivalent 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene ligands to form linear chains.