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

Zhen Zeng; Elliot R. Bernstein

doi:10.1039/c7cp06625b

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

Physical Chemistry Chemical Physics ◽

10.1039/c7cp06625b ◽

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.

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

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b07676 ◽

2017 ◽

Vol 121 (39) ◽

pp. 7362-7373 ◽

Cited By ~ 6

Author(s):

Shi Yin ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spin States ◽

Cluster Anions ◽

Functional Theory ◽

Iron Sulfur

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Properties of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions through photoelectron spectroscopy and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.4964651 ◽

2016 ◽

Vol 145 (15) ◽

pp. 154302 ◽

Cited By ~ 13

Author(s):

Shi Yin ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Iron Sulfide ◽

Density Functional Theory Calculations ◽

Cluster Anions ◽

Functional Theory ◽

Mixed Sulfide

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Structural evolution and magnetic properties of anionic clusters Cr2Ge n (n = 3–14): photoelectron spectroscopy and density functional theory computation

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/aad2bf ◽

2018 ◽

Vol 30 (33) ◽

pp. 335501 ◽

Cited By ~ 8

Author(s):

Xiaoqing Liang ◽

Xiangyu Kong ◽

Sheng-Jie Lu ◽

Yingying Huang ◽

Jijun Zhao ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Structural Evolution ◽

Functional Theory ◽

Anionic Clusters ◽

Density Functional Theory Computation

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

Physical Chemistry Chemical Physics ◽

10.1039/c8cp03157f ◽

2018 ◽

Vol 20 (35) ◽

pp. 22610-22622 ◽

Cited By ~ 1

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.

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

Physical Chemistry Chemical Physics ◽

10.1039/c7cp07012h ◽

2018 ◽

Vol 20 (1) ◽

pp. 367-382 ◽

Cited By ~ 5

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.

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Photoelectron spectroscopy of cold aluminum cluster anions: Comparison with density functional theory results

The Journal of Chemical Physics ◽

10.1063/1.3352445 ◽

2010 ◽

Vol 132 (10) ◽

pp. 104303 ◽

Cited By ~ 42

Author(s):

Lei Ma ◽

Bernd v. Issendorff ◽

Andrés Aguado

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Cluster Anions ◽

Aluminum Cluster ◽

Functional Theory

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Physical genetics: Cross-breeding density functional theory and X-ray photoelectron spectroscopy to rationalize chemical shifts of binding energies in solid compounds

Solid State Sciences ◽

10.1016/j.solidstatesciences.2020.106359 ◽

2020 ◽

Vol 110 ◽

pp. 106359

Author(s):

Horst P. Beck ◽

Giuliano Moretti

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Chemical Shifts ◽

Binding Energies ◽

Breeding Density ◽

Functional Theory ◽

X Ray ◽

Cross Breeding ◽

Solid Compounds

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Comparison of Nickel-Group Metal Cyanides and Acetylides and Their Anions Using Anion Photoelectron Spectroscopy and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0520704 ◽

2005 ◽

Vol 109 (31) ◽

pp. 6880-6886 ◽

Cited By ~ 8

Author(s):

Bappaditya Chatterjee ◽

F. Ahu Akin ◽

Caroline Chick Jarrold ◽

Krishnan Raghavachari

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Group Metal ◽

Metal Cyanides ◽

Anion Photoelectron Spectroscopy

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

The Journal of Chemical Physics ◽

10.1063/1.4767053 ◽

2012 ◽

Vol 137 (20) ◽

pp. 205101 ◽

Cited By ~ 4

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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Study of the Electronic Structure of M2(CH2CMe3)6 (M = Mo, W) by Photoelectron Spectroscopy and Density Functional Theory

Organometallics ◽

10.1021/acs.organomet.1c00586 ◽

2021 ◽

Author(s):

Monica de Simone ◽

Marcello Coreno ◽

Roberta Totani ◽

Nicolas E. Capra ◽

Louis Messerle ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory

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