scholarly journals Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase

2017 ◽  
Vol 8 (9) ◽  
pp. 6141-6148 ◽  
Author(s):  
Reece Beekmeyer ◽  
Michael A. Parkes ◽  
Luke Ridgwell ◽  
Jamie W. Riley ◽  
Jiawen Chen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Structure And Dynamics ◽  
Quantum Chemistry Calculations ◽  
Anion Photoelectron Spectroscopy ◽  
Rotary Motor

Anion photoelectron spectroscopy and quantum chemistry calculations are employed to probe the electronic structure and dynamics of a unidirectional molecular rotary motor anion in the gas-phase.

scholarly journals Photoelectron spectroscopy of isolated luciferin and infraluciferin anions in vacuo: competing photodetachment, photofragmentation and internal conversion

2017 ◽  
Vol 19 (34) ◽  
pp. 22711-22720 ◽  
Author(s):  
Joanne L. Woodhouse ◽  
Mariana Assmann ◽  
Michael A. Parkes ◽  
Helen Grounds ◽  
Steven J. Pacman ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Photoelectron Spectroscopy ◽  
Internal Conversion ◽  
Structure And Dynamics ◽  
Quantum Chemistry Calculations

The electronic structure and dynamics of luciferin and infraluciferin have been investigated using photoelectron spectroscopy and quantum chemistry calculations.

scholarly journals Electronic structure and dynamics of torsion-locked photoactive yellow protein chromophores

2017 ◽  
Vol 19 (47) ◽  
pp. 31572-31580 ◽  
Author(s):  
Alice Henley ◽  
Matus E. Diveky ◽  
Anand M. Patel ◽  
Michael A. Parkes ◽  
James C. Anderson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Computational Chemistry ◽  
Photoelectron Spectroscopy ◽  
Photoactive Yellow Protein ◽  
Electronic Relaxation ◽  
Structure And Dynamics ◽  
Anion Photoelectron Spectroscopy

Anion photoelectron spectroscopy and computational chemistry study of the role of torsional motions in the electronic relaxation of PYP chromophores.

scholarly journals Gas phase analogs of stable sodium-tin Zintl ions: Anion photoelectron spectroscopy and electronic structure

2011 ◽  
Vol 134 (22) ◽  
pp. 224307 ◽  
Author(s):  
W.-J. Zheng ◽  
O. C. Thomas ◽  
J. M. Nilles ◽  
K. H. Bowen ◽  
A. C. Reber ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Zintl Ions ◽  
Anion Photoelectron Spectroscopy

Structural evolution and electronic properties of CoSin− (n = 3–12) clusters: mass-selected anion photoelectron spectroscopy and quantum chemistry calculations

2019 ◽  
Vol 21 (11) ◽  
pp. 6207-6215 ◽  
Author(s):  
Bin Yang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Umar Farooq ◽  
Wei-Jun Zheng
Keyword(s):  
Quantum Chemistry ◽  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Structural Evolution ◽  
Experimental Measurements ◽  
Quantum Chemistry Calculations ◽  
Vertical Detachment Energy ◽  
Anion Photoelectron Spectroscopy

Experimental measurements and theoretical calculations show that CoSi10− has the highest vertical detachment energy among all the CoSin− (n = 3–12) clusters, implying CoSi10− has special stability.

Anion photoelectron spectroscopy and quantum chemistry calculations of TaSi16ˉ/0 clusters: Global minimum fullerene-like cage structure, bonding and superatom properties

2021 ◽  
Author(s):  
Sheng-Jie Lu
Keyword(s):  
Quantum Chemistry ◽  
Photoelectron Spectroscopy ◽  
Global Minimum ◽  
Search Algorithm ◽  
Cage Structure ◽  
Swarm Optimization ◽  
Global Search Algorithm ◽  
Quantum Chemistry Calculations ◽  
Bonding Properties ◽  
Anion Photoelectron Spectroscopy

Anion photoelectron spectroscopy combined with quantum chemistry calculations and particle swarm optimization (CALYPSO) global search algorithm were used to investigate the structural and bonding properties of TaSi16ˉ/0 clusters. The vertical...

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

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