Ab initio treatment of magnesium water cluster anions [Mg,nH2O]−, n ≤ 11

Björn M. Reinhard; Gereon Niedner-Schatteburg

doi:10.1039/b302254d

Ab initio treatment of magnesium water cluster anions [Mg,nH2O]−, n ≤ 11

Physical Chemistry Chemical Physics ◽

10.1039/b302254d ◽

2003 ◽

Vol 5 (10) ◽

pp. 1970-1980 ◽

Cited By ~ 9

Author(s):

Björn M. Reinhard ◽

Gereon Niedner-Schatteburg

Keyword(s):

Ab Initio ◽

Water Cluster ◽

Cluster Anions

Download Full-text

Ab initio Study of [Mg,nH2O]- Reactive Decay Products: Structure and Stability of Magnesium Oxide and Magnesium Hydroxide Water Cluster Anions [MgO,(n—1)H2O]-, [HMgOH,(n—1)H2O]- and [Mg(OH)2,(n—2)H2O]-

ChemInform ◽

10.1002/chin.200452005 ◽

2004 ◽

Vol 35 (52) ◽

Author(s):

Bjoern M. Reinhard ◽

Anita Lagutschenkov ◽

Gereon Niedner-Schatteburg

Keyword(s):

Ab Initio ◽

Magnesium Oxide ◽

Magnesium Hydroxide ◽

Water Cluster ◽

Cluster Anions ◽

Ab Initio Study ◽

Structure And Stability ◽

Decay Products ◽

Hydroxide Water

Download Full-text

Ab initio study of [Mg,nH2O]−reactive decay products: structure and stability of magnesium oxide and magnesium hydroxide water cluster anions [MgO,(n − 1)H2O]−, [HMgOH,(n − 1)H2O]−and [Mg(OH)2,(n − 2)H2O]−

Physical Chemistry Chemical Physics ◽

10.1039/b405747c ◽

2004 ◽

Vol 6 (17) ◽

pp. 4268-4275 ◽

Cited By ~ 6

Author(s):

Björn M. Reinhard ◽

Anita Lagutschenkov ◽

Gereon Niedner-Schatteburg

Keyword(s):

Ab Initio ◽

Magnesium Oxide ◽

Magnesium Hydroxide ◽

Water Cluster ◽

Cluster Anions ◽

Ab Initio Study ◽

Structure And Stability ◽

Decay Products ◽

Hydroxide Water

Download Full-text

Ab initio investigation of cationic water cluster (H2O)+13 via particle swarm optimization algorithm

Theoretical Chemistry Accounts ◽

10.1007/s00214-019-2464-8 ◽

2019 ◽

Vol 138 (6) ◽

Cited By ~ 1

Author(s):

Yi-Ming Wen ◽

Shuai-Kang Zhang ◽

Cui-E Hu ◽

Yan Cheng

Keyword(s):

Particle Swarm Optimization ◽

Ab Initio ◽

Optimization Algorithm ◽

Water Cluster ◽

Particle Swarm Optimization Algorithm ◽

Particle Swarm ◽

Swarm Optimization

Download Full-text

Response to Comment on "Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations"

Science ◽

10.1126/science.1119314 ◽

2005 ◽

Vol 310 (5755) ◽

pp. 1769c-1769c ◽

Cited By ~ 21

Author(s):

L. Turi

Keyword(s):

Water Cluster ◽

Cluster Anions ◽

Quantum Simulations ◽

Excess Electrons

Download Full-text

Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster Anions Pn5-(Pn = P, As, Sb, and Bi) Using Photoelectron Spectroscopy and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp020115k ◽

2002 ◽

Vol 106 (23) ◽

pp. 5600-5606 ◽

Cited By ~ 78

Author(s):

Hua-Jin Zhai ◽

Lai-Sheng Wang ◽

Aleksey E. Kuznetsov ◽

Alexander I. Boldyrev

Keyword(s):

Electronic Structure ◽

Ab Initio Calculations ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Cluster Anions

Download Full-text

Thermal effects on energetics and dynamics in water cluster anions (H2O)n−

The Journal of Chemical Physics ◽

10.1063/1.3689439 ◽

2012 ◽

Vol 136 (9) ◽

pp. 094304 ◽

Cited By ~ 17

Author(s):

Ryan M. Young ◽

Margaret A. Yandell ◽

Sarah B. King ◽

Daniel M. Neumark

Keyword(s):

Thermal Effects ◽

Water Cluster ◽

Cluster Anions

Download Full-text

Ab initio study of the structure of formate(1-) in a water cluster

The Journal of Physical Chemistry ◽

10.1021/j100115a016 ◽

1993 ◽

Vol 97 (13) ◽

pp. 3157-3159 ◽

Cited By ~ 7

Author(s):

Masao Masamura

Keyword(s):

Ab Initio ◽

Water Cluster ◽

Ab Initio Study

Download Full-text

Linear aluminum- and phosphorus-doped carbon cluster anions: Mass distribution and ab initio calculations

Chemical Physics ◽

10.1016/s0301-0104(97)00370-4 ◽

1998 ◽

Vol 229 (2-3) ◽

pp. 335-341 ◽

Cited By ~ 19

Author(s):

Zhao-yang Liu ◽

Rong-bin Huang ◽

Zi-chao Tang ◽

Lan-sun Zheng

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Mass Distribution ◽

Carbon Cluster ◽

Cluster Anions ◽

Phosphorus Doped

Download Full-text

Theoretical Characterization of Four Distinct Isomer Types in Hydrated-Electron Clusters, and Proposed Assignments for Photoelectron Spectra of Water Cluster Anions

Journal of the American Chemical Society ◽

10.1021/ja208024p ◽

2011 ◽

Vol 133 (49) ◽

pp. 19889-19899 ◽

Cited By ~ 39

Author(s):

Leif D. Jacobson ◽

John M. Herbert

Keyword(s):

Water Cluster ◽

Hydrated Electron ◽

Photoelectron Spectra ◽

Cluster Anions ◽

Theoretical Characterization

Download Full-text

Infrared Spectroscopy of Water Cluster Anions, (H2O)n=3-24- in the HOH Bending Region: Persistence of the Double H-Bond Acceptor (AA) Water Molecule in the Excess Electron Binding Site of the Class I Isomers.

ChemInform ◽

10.1002/chin.200635002 ◽

2006 ◽

Vol 37 (35) ◽

Author(s):

Joseph R. Roscioli ◽

Nathan I. Hammer ◽

M. A. Johnson

Keyword(s):

Infrared Spectroscopy ◽

Water Molecule ◽

Binding Site ◽

Water Cluster ◽

Excess Electron ◽

Class I ◽

Cluster Anions ◽

Electron Binding

Download Full-text