Dynamics of the photodissociation of ethyl iodide from the origin of the B band. A slice imaging study

2019 ◽  
Vol 21 (26) ◽  
pp. 14250-14260 ◽  
Author(s):  
Sonia Marggi Poullain ◽  
Pedro Recio ◽  
David V. Chicharro ◽  
Luis Rubio-Lago ◽  
Jesús González-Vázquez ◽  
...  
Keyword(s):  
Ab Initio ◽  
Imaging Study ◽  
Ethyl Iodide ◽  
Slice Imaging

The electronic predissociation dynamics and stereodynamics of ethyl iodide from the origin of the B-band are studied by slice imaging and ab initio calculations.

Velocity slice imaging study on dissociative electron attachment to CF4

2014 ◽  
Vol 68 (4) ◽  
Author(s):  
Frímann H. Ómarsson ◽  
Ewelina Szymańska ◽  
Nigel J. Mason ◽  
E. Krishnakumar ◽  
Oddur Ingólfsson
Keyword(s):  
Imaging Study ◽  
Electron Attachment ◽  
Dissociative Electron Attachment ◽  
Slice Imaging

scholarly journals Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study

2014 ◽  
Vol 16 (5) ◽  
pp. 2167-2178 ◽  
Author(s):  
Sara H. Gardiner ◽  
Tolga N. V. Karsili ◽  
M. Laura Lipciuc ◽  
Edward Wilman ◽  
Michael N. R. Ashfold ◽  
...  
Keyword(s):  
Imaging Study ◽  
Ethyl Bromide ◽  
Ethyl Iodide ◽  
Velocity Map Imaging ◽  
Fragmentation Dynamics

Mixed transitions in the UV photodissociation of propargyl chloride revealed by slice imaging and multireference ab initio calculations

2018 ◽  
Vol 20 (43) ◽  
pp. 27474-27481 ◽  
Author(s):  
Casey D. Foley ◽  
Baptiste Joalland ◽  
S. Tahereh Alavi ◽  
Arthur G. Suits
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Multiphoton Ionization ◽  
Spin Orbit ◽  
Slice Imaging

Resonance-enhanced multiphoton ionization (REMPI) and DC slice imaging were used to detect photoproducts Cl (2P3/2), spin–orbit excited Cl* (2P1/2), and C3H3 in the photodissociation of propargyl chloride at 212 and 236 nm.

scholarly journals Dynamics of Cl + propane, butanes revisited: a crossed beam slice imaging study

2014 ◽  
Vol 16 (2) ◽  
pp. 414-420 ◽  
Author(s):  
Baptiste Joalland ◽  
Yuanyuan Shi ◽  
Nitin Patel ◽  
Richard Van Camp ◽  
Arthur G. Suits
Keyword(s):  
Imaging Study ◽  
Slice Imaging

A velocity map imaging study of the photodissociation of the methyl iodide cation

2017 ◽  
Vol 19 (11) ◽  
pp. 7886-7896 ◽  
Author(s):  
S. Marggi Poullain ◽  
D. V. Chicharro ◽  
J. González-Vázquez ◽  
L. Rubio-Lago ◽  
L. Bañares
Keyword(s):  
Ab Initio ◽  
Methyl Iodide ◽  
Imaging Study ◽  
Velocity Map Imaging ◽  
Dissociation Mechanisms

The photodissociation dynamics of the methyl iodide cation has been studied using velocity map imaging and ab initio theory to disentangle the dissociation mechanisms.

Photodissociation dynamics of bromoiodomethane from the first and second absorption bands. A combined velocity map and slice imaging study

2018 ◽  
Vol 20 (5) ◽  
pp. 3490-3503 ◽  
Author(s):  
Sonia Marggi Poullain ◽  
David V. Chicharro ◽  
Eduardo Navarro ◽  
Luis Rubio-Lago ◽  
Jesús González-Vázquez ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Imaging Study ◽  
Ion Imaging ◽  
Absorption Bands ◽  
Slice Imaging

Ion imaging is applied to disentangle the selective bond cleavage in the photodissociation of bromoiodomethane from the two first absorption bands.

High resolution STEM imaging study on high Tc superconductor YBa2CuaO7-x

1988 ◽  
Vol 46 ◽  
pp. 882-883
Author(s):  
H.-J. Ou ◽  
J. M. Cowley
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Grain Boundary ◽  
Strong Field ◽  
Imaging Study ◽  
Structure Defects ◽  
High Tc ◽  
High Tc Superconductor ◽  
Diffraction Patterns ◽  
Lattice Planes

Using the dedicate VG-HB5 STEM microscope, the crystal structure of high Tc superconductor of YBa2Cu3O7-x has been studied via high resolution STEM (HRSTEM) imaging and nanobeam (∽3A) diffraction patterns. Figure 1(a) and 2(a) illustrate the HRSTEM image taken at 10' times magnification along [001] direction and [100] direction, respectively. In figure 1(a), a grain boundary with strong field contrast is seen between two crystal regions A and B. The grain boundary appears to be parallel to a (110) plane, although it is not possible to determine [100] and [001] axes as it is in other regions which contain twin planes [3]. Following the horizontal lattice lines, from left to right across the grain boundary, a lattice bending of ∽4° is noticed. Three extra lattice planes, indicated by arrows, were found to terminate at the grain boundary and form dislocations. It is believed that due to different chemical composition, such structure defects occur during crystal growth. No bending is observed along the vertical lattice lines.

Ab initio band theory approach to electron energy loss near edge structures

1988 ◽  
Vol 46 ◽  
pp. 506-507
Author(s):  
Xudong Weng ◽  
O.F. Sankey ◽  
Peter Rez
Keyword(s):  
Ab Initio ◽  
Local Density ◽  
Interpolation Method ◽  
Atomic Orbital ◽  
Plane Waves ◽  
Large Set ◽  
Theory Approach ◽  
Band Theory ◽  
Atomic Orbitals ◽  
Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

Alterations in regional decreased cerebral blood flow in patients with irritable bowel syndrome-A PET imaging study

2001 ◽  
Vol 120 (5) ◽  
pp. A637-A637
Author(s):  
Y RINGEL ◽  
D DROSSMAN ◽  
T TURKINGTON ◽  
B BRADSHAW ◽  
R COLEMAN ◽  
...  
Keyword(s):  
Blood Flow ◽  
Irritable Bowel Syndrome ◽  
Cerebral Blood Flow ◽  
Pet Imaging ◽  
Imaging Study ◽  
Irritable Bowel
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