Photoelectron Spectroscopy and Density Functional Theory Studies of Iron Sulfur (FeS)m–(m= 2–8) Cluster Anions: Coexisting Multiple Spin States

2017 ◽  
Vol 121 (39) ◽  
pp. 7362-7373 ◽  
Author(s):  
Shi Yin ◽  
Elliot R. Bernstein
Keyword(s):  
Density Functional Theory ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Spin States ◽  
Cluster Anions ◽  
Functional Theory ◽  
Iron Sulfur

Photoelectron spectroscopy and density functional theory studies of (fructose + (H2O)n)− (n = 1–5) anionic clusters

2017 ◽  
Vol 19 (46) ◽  
pp. 31121-31137
Author(s):  
Zhen Zeng ◽  
Elliot R. Bernstein
Keyword(s):  
Density Functional Theory ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Cluster Anions ◽  
Open Chain ◽  
Functional Theory ◽  
Anionic Clusters

(Fructose + (H2O)n)− (n = 1–5) cluster anions mainly exist as open chain structures. Some cyclic structures of (fructose + (H2O)n)− (n = 3, 4) are present too.

Fe–V sulfur clusters studied through photoelectron spectroscopy and density functional theory

2018 ◽  
Vol 20 (35) ◽  
pp. 22610-22622 ◽  
Author(s):  
Shi Yin ◽  
Elliot R. Bernstein
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Cluster Anions ◽  
Functional Theory ◽  
Sulfur Cluster

Iron–vanadium sulfur cluster anions are studied by photoelectron spectroscopy (PES) at 3.492 eV (355 nm) and 4.661 eV (266 nm) photon energies, and by density functional theory (DFT) calculations.

Photoelectron spectroscopy and density functional theory studies of (FeS)mH−(m= 2–4) cluster anions: effects of the single hydrogen

2018 ◽  
Vol 20 (1) ◽  
pp. 367-382 ◽  
Author(s):  
Shi Yin ◽  
Elliot R. Bernstein
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Cluster Anions ◽  
Functional Theory

Single hydrogen containing iron hydrosulfide cluster anions (FeS)mH−(m= 2–4) are studied by photoelectron spectroscopy (PES) at 3.492 eV (355 nm) and 4.661 eV (266 nm) photon energies, and by Density Functional Theory (DFT) calculations.

Photoelectron spectroscopy and density functional theory studies on the uridine homodimer radical anions

2012 ◽  
Vol 137 (20) ◽  
pp. 205101 ◽  
Author(s):  
Yeon Jae Ko ◽  
Piotr Storoniak ◽  
Haopeng Wang ◽  
Kit H. Bowen ◽  
Janusz Rak
Keyword(s):  
Density Functional Theory ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Radical Anions ◽  
Functional Theory
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