Ab initio and anion photoelectron study of AunRhm (n = 1–7, m = 1–2) clusters

2015 ◽  
Vol 17 (42) ◽  
pp. 28219-28227 ◽  
Author(s):  
Fernando Buendía ◽  
Marcela R. Beltrán ◽  
Xinxing Zhang ◽  
Gaoxiang Liu ◽  
Allyson Buytendyk ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Gold Clusters ◽  
Bimetallic Clusters ◽  
Photoelectron Study ◽  
Anion Photoelectron Spectroscopy

Anion photoelectron spectroscopy and DFT calculations study on AunRhm (n = 1–7 and m = 1–2). PES spectra, vertical and adiabatic detachment energies, are compared. The characteristic planarity for gold clusters is preserved for many of the bimetallic clusters.

On the dissolution of lithium sulfate in water: anion photoelectron spectroscopy and density functional theory calculations

2015 ◽  
Vol 17 (8) ◽  
pp. 5624-5631 ◽  
Author(s):  
Gang Feng ◽  
Gao-Lei Hou ◽  
Hong-Guang Xu ◽  
Zhen Zeng ◽  
Wei-Jun Zheng
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Lithium Sulfate ◽  
Functional Theory ◽  
Anion Photoelectron Spectroscopy ◽  
Insight Into

Microscopic insight into the dissolution of Li2SO4in water was gained using photoelectron spectroscopy combined with DFT calculations.

Microscopic solvation of NaBO2 in water: anion photoelectron spectroscopy and ab initio calculations

2011 ◽  
Vol 13 (35) ◽  
pp. 15865 ◽  
Author(s):  
Yuan Feng ◽  
Min Cheng ◽  
Xiang-Yu Kong ◽  
Hong-Guang Xu ◽  
Wei-Jun Zheng
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Anion Photoelectron Spectroscopy

Using anion photoelectron spectroscopy of cluster models to gain insights into mechanisms of catalyst-mediated H2 production from water

2020 ◽  
Vol 22 (48) ◽  
pp. 27936-27948
Author(s):  
Abbey J. McMahon ◽  
Caroline Chick Jarrold
Keyword(s):  
Dft Calculations ◽  
Photoelectron Spectroscopy ◽  
Structural Features ◽  
H2 Production ◽  
Cluster Models ◽  
Anion Photoelectron Spectroscopy

Anion PE spectroscopy and DFT calculations reveal molecular and electronic structural features of cluster models for catalysis.

Microsolvation of LiI and CsI in Water: Anion Photoelectron Spectroscopy and ab initio Calculations

2013 ◽  
Vol 135 (13) ◽  
pp. 5190-5199 ◽  
Author(s):  
Ren-Zhong Li ◽  
Cheng-Wen Liu ◽  
Yi Qin Gao ◽  
Hong Jiang ◽  
Hong-Guang Xu ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Anion Photoelectron Spectroscopy

Halide–Nitrogen Gas-Phase Clusters: Anion Photoelectron Spectroscopy and High Level ab Initio Calculations

2015 ◽  
Vol 119 (37) ◽  
pp. 9722-9728 ◽  
Author(s):  
Kim M. L. Lapere ◽  
Marcus Kettner ◽  
Peter D. Watson ◽  
Allan J. McKinley ◽  
Duncan A. Wild
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Nitrogen Gas ◽  
Gas Phase Clusters ◽  
Anion Photoelectron Spectroscopy ◽  
High Level

The electronic structure of CuCl2 and CuBr2 from anion photoelectron spectroscopy and ab initio calculations

2001 ◽  
Vol 114 (17) ◽  
pp. 7388-7395 ◽  
Author(s):  
Xue-Bin Wang ◽  
Lai-Sheng Wang ◽  
Reuben Brown ◽  
Peter Schwerdtfeger ◽  
Detlef Schröder ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Anion Photoelectron Spectroscopy
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