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B80 and Other Medium-Sized Boron Clusters: Core−Shell Structures, Not Hollow Cages

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-09, Vol.114 (37), p.9969-9972

2010

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Sulfur, Not Too Far Behind O, N, and C: SH···π Hydrogen Bond

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (46), p.12774-12782

2009

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Nature of the N−H···S Hydrogen Bond

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (46), p.12763-12773

2009

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Reactivity of Aluminum Cluster Anions with Water: Origins of Reactivity and Mechanisms for H2 Release

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-05, Vol.114 (20), p.6071-6081

2010

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O−H···O versus O−H···S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-07, Vol.114 (26), p.6944-6955

2010

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Titanium-Doped Nickel Clusters TiNi n (n = 1−12): Geometry, Electronic, Magnetic, and Hydrogen Adsorption Properties

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-04, Vol.114 (15), p.5049-5057

2010

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Computational Studies of the Photophysics of Neutral and Zwitterionic Amino Acids in an Aqueous Environment: Tyrosine−(H2O)2 and Tryptophan−(H2O)2 Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-01, Vol.113 (3), p.542-550

2009

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Time Dependent Quantum Dynamics Study of the Ne + H2 +(v 0 = 0–4, j 0 = 1) → NeH+ + H Proton Transfer Reaction, Including the Coriolis Coupling. A System with Oscillatory Cross Sections

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (42), p.11525-11530

2011

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Why Does trans-Azobenzene Have a Smaller Isomerization Yield for ππ Excitation Than for nπ Excitation?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (51), p.13326-13334

2008

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Product Branching from the CH2CH2OH Radical Intermediate of the OH + Ethene Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (33), p.9097-9110

2011

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Insights into Photoinduced Electron Transfer between [Ru(bpy)3]2+ and [S2O8]2− in Water: Computational and Experimental Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-01, Vol.114 (1), p.73-80

2010

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Insights into the Mechanism of O2 Formation and Release from the Mn4O4L6 “Cubane” Cluster

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-11, Vol.114 (43), p.11417-11424

2010

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Effect of Surface Modes on the Six-Dimensional Molecule–Surface Scattering Dynamics of H2–Cu(100) and D2–Cu(111) Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (21), p.5256-5273

2011

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Magnetic Properties of Transition-Metal-Doped Tubular Gold Clusters: M@Au24 (M = V, Cr, Mn, Fe, Co, and Ni)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-04, Vol.114 (12), p.4031-4035

2010

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Mixed Quantum-Classical Study of Nonadiabatic Dynamics in the O(3P2,1,0,1D2) + H2 Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (38), p.10189-10195

2009

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Oxidative Reactions of Silicon Atoms and Clusters at Ultralow Temperature in Helium Droplets

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-12, Vol.114 (50), p.13045-13049

2010

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A Comparative Study of the H + FO (v = 0, j = 0) → (OH + F)/(HF + O) Reaction from QM and QCT Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-04, Vol.113 (15), p.3470-3475

2009

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Laser Induced Fluorescence Spectroscopy of Tetracene with Large Ar, Ne, and H2 Clusters in Superfluid He Nanodroplets

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (25), p.7392-7399

2011

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Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH) n (n = 1–3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-12, Vol.115 (49), p.14129-14136

2011

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Thermal Decomposition of NCN3 as a High-Temperature NCN Radical Source: Singlet−Triplet Relaxation and Absorption Cross Section of NCN(3Σ)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-12, Vol.114 (50), p.12963-12971

2010

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The Effect of Intermolecular Hydrogen Bonding on the Fluorescence of a Bimetallic Platinum Complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-09, Vol.114 (34), p.9007-9013

2010

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Emission Red Shift and Unusual Band Narrowing of Mn2+ in NaCaPO4 Phosphor

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-07, Vol.114 (26), p.6927-6934

2010

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Molecular Dynamics Simulations of Laser-Induced Incandescence of Soot Using an Extended ReaxFF Reactive Force Field

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-12, Vol.114 (48), p.12561-12572

2010

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Optical Properties of (GaAs) n Clusters (n = 2−16)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (43), p.10728-10735

2008

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Inverse Temperature Dependent Lifetimes of Transient SN2 Ion-Dipole Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (42), p.10448-10452

2008

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Einstellungen

B80 and Other Medium-Sized Boron Clusters: Core−Shell Structures, Not Hollow Cages

Sulfur, Not Too Far Behind O, N, and C: SH···π Hydrogen Bond

Nature of the N−H···S Hydrogen Bond

Reactivity of Aluminum Cluster Anions with Water: Origins of Reactivity and Mechanisms for H2 Release

O−H···O versus O−H···S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors

Titanium-Doped Nickel Clusters TiNi n (n = 1−12): Geometry, Electronic, Magnetic, and Hydrogen Adsorption Properties

Computational Studies of the Photophysics of Neutral and Zwitterionic Amino Acids in an Aqueous Environment: Tyrosine−(H2O)2 and Tryptophan−(H2O)2 Clusters

Time Dependent Quantum Dynamics Study of the Ne + H2 +(v 0 = 0–4, j 0 = 1) → NeH+ + H Proton Transfer Reaction, Including the Coriolis Coupling. A System with Oscillatory Cross Sections

Why Does trans-Azobenzene Have a Smaller Isomerization Yield for ππ Excitation Than for nπ Excitation?

Product Branching from the CH2CH2OH Radical Intermediate of the OH + Ethene Reaction

Insights into Photoinduced Electron Transfer between [Ru(bpy)3]2+ and [S2O8]2− in Water: Computational and Experimental Studies

Insights into the Mechanism of O2 Formation and Release from the Mn4O4L6 “Cubane” Cluster

Effect of Surface Modes on the Six-Dimensional Molecule–Surface Scattering Dynamics of H2–Cu(100) and D2–Cu(111) Systems

Magnetic Properties of Transition-Metal-Doped Tubular Gold Clusters: M@Au24 (M = V, Cr, Mn, Fe, Co, and Ni)

Mixed Quantum-Classical Study of Nonadiabatic Dynamics in the O(3P2,1,0,1D2) + H2 Reaction

Oxidative Reactions of Silicon Atoms and Clusters at Ultralow Temperature in Helium Droplets

A Comparative Study of the H + FO (v = 0, j = 0) → (OH + F)/(HF + O) Reaction from QM and QCT Methods

Laser Induced Fluorescence Spectroscopy of Tetracene with Large Ar, Ne, and H2 Clusters in Superfluid He Nanodroplets

Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH) n (n = 1–3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation

Thermal Decomposition of NCN3 as a High-Temperature NCN Radical Source: Singlet−Triplet Relaxation and Absorption Cross Section of NCN(3Σ)

The Effect of Intermolecular Hydrogen Bonding on the Fluorescence of a Bimetallic Platinum Complex

Emission Red Shift and Unusual Band Narrowing of Mn2+ in NaCaPO4 Phosphor

Molecular Dynamics Simulations of Laser-Induced Incandescence of Soot Using an Extended ReaxFF Reactive Force Field

Optical Properties of (GaAs) n Clusters (n = 2−16)

Inverse Temperature Dependent Lifetimes of Transient SN2 Ion-Dipole Complexes

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