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X‑ray Absorption Spectroscopy of Ground and Excited Rhenium–Carbonyl–Diimine Complexes: Evidence for a Two-Center Electron Transfer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-01, Vol.117 (2), p.361-369

2013

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Influence of the Halogen Ligand on the Near-UV−Visible Spectrum of [Ru(X)(Me)(CO)2(α-diimine)] (X = Cl, I; α-Diimine = Me-DAB, iPr-DAB; DAB = 1,4-Diaza-1,3-butadiene): An ab Initio and TD-DFT Analysis

Inorganic chemistry, 2004-12, Vol.43 (25), p.7978-7985

2004

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Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes

Catalysis today, 2010-12, Vol.158 (1), p.29-34

2010

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Parameters affecting the luminescence of nanodiamond particles: Quantum chemical calculations

Physica status solidi. A, Applications and materials science, 2012-09, Vol.209 (9), p.1769-1773

2012

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Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations

The European physical journal. B, Condensed matter physics, 2009-12, Vol.72 (3), p.385-395

2009

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Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

Structural chemistry, 2013-12, Vol.24 (6), p.2149-2153

2013

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The fluorescence of variously terminated nanodiamond particles: Quantum chemical calculations

Physica status solidi. A, Applications and materials science, 2010-09, Vol.207 (9), p.2045-2048

2010

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UV−Visible Absorption Spectra of [Ru(E)(E‘)(CO)2(iPr-DAB)] (E = E‘ = SnPh3 or Cl; E = SnPh3 or Cl, E‘ = CH3; iPr-DAB = N,N‘-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations

Journal of the American Chemical Society, 2001-11, Vol.123 (46), p.11431-11440

2001

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New organic FET-like photoactive device, experiments and DFT modeling

The European physical journal. E, Soft matter and biological physics, 2008-03, Vol.25 (3), p.299-307

2008

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Theoretical analysis of low-lying charge transfer states in [Ru(X) (Me)(CO)2(Me-DAB)] (XCl, I; DAB1,4-diaza-1,3-butadiene) complexes by TDDFT and CASSCF/CASPT2 methods

International journal of quantum chemistry, 2006, Vol.106 (12), p.2458-2469

2006

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EPR characteristics of the [(NC)(5)M(NO)](3-) ions (M = Fe, Ru, Os). Experimental and DFT study establishing NO as a ligand

Inorganic chemistry, 2001-10, Vol.40 (22), p.5704-5707

2001

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Combined experimental and theoretical DFT study of molecular nanowires negative differential resistance and interaction with gold clusters

The European physical journal. E, Soft matter and biological physics, 2005-10, Vol.18 (2), p.201-206

2005

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DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands

AIP conference proceedings, 2009, Vol.1148 (1)

2009

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Electron delocalization in vinyl ruthenium substituted cyclophanes: Assessment of the through-space and the through-bond pathways

Journal of organometallic chemistry, 2011-10, Vol.696 (20), p.3186-3197

2011

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Allenylidene complexes of ruthenium: synthesis, spectroscopy and electron transfer properties

Coordination Chemistry Reviews, 2004-08, Vol.248 (15), p.1565-1583

2004

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The stable diiron(2.5) complex ion [(NC)(5)Fe(mu-tz)Fe(CN)5](5-), tz = 1,2,4,5-tetrazine, and its neighboring oxidation states

Inorganic chemistry, 2001-05, Vol.40 (10), p.2256-2262

2001

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The Involvement of Metal-to-CO Charge Transfer and Ligand-Field Excited States in the Spectroscopy and Photochemistry of Mixed-Ligand Metal Carbonyls. A Theoretical and Spectroscopic Study of [W(CO)4(1,2-Ethylenediamine)] and [W(CO)4(N,N ‘-Bis-alkyl-1,4-diazabutadiene)]

Journal of the American Chemical Society, 2003-04, Vol.125 (15), p.4580-4592

2003

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Ligand-to-Diimine/Metal-to-Diimine Charge-Transfer Excited States of [Re(NCS)(CO)3(α-diimine)] (α-diimine = 2,2‘-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A Spectroscopic and Computational Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-06, Vol.109 (23), p.5016-5025

2005

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Comments on “Theoretical Studies of Ground and Excited Electronic States in a Series of Halide Rhenium(I) Bipyridine Complexes”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (12), p.2991-2992

2005

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Bridge dominated oxidation of a diruthenium 1,3-divinylphenylene complex

Chemical communications (Cambridge, England), 2004-09 (17), p.1900-1901

2004

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The Sequence of Ligand Reductions in Heteroleptic Ruthenium-Diimine Complexes: Calculation of Redox Potentials as a Diagnostic Tool

Inorganic chemistry, 1995-11, Vol.34 (24), p.6008-6014

1995

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Ultrafast Photochemical Dissociation of an Equatorial CO Ligand from trans(X,X)-[Ru(X)2(CO)2(bpy)] (X = Cl, Br, I): A Picosecond Time-Resolved Infrared Spectroscopic and DFT Computational Study

Inorganic chemistry, 2004-11, Vol.43 (23), p.7380-7388

2004

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Excited States of Nitro-Polypyridine Metal Complexes and Their Ultrafast Decay. Time-Resolved IR Absorption, Spectroelectrochemistry, and TD-DFT Calculations of fac-[Re(Cl)(CO)3(5-Nitro-1,10-phenanthroline)]

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-07, Vol.109 (28), p.6147-6153

2005

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Nonsteroidal Anti‐inflammatory Use and LRRK2 Parkinson's Disease Penetrance

Movement disorders, 2020-10, Vol.35 (10), p.1755-1764

2020

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Ligand-to-ligand charge transfer states and photochemical bond homolysis in metalcarbon bonded platinum complexes

Coordination chemistry reviews, 2002-08, Vol.230 (1), p.193-211

2002

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X‑ray Absorption Spectroscopy of Ground and Excited Rhenium–Carbonyl–Diimine Complexes: Evidence for a Two-Center Electron Transfer

Influence of the Halogen Ligand on the Near-UV−Visible Spectrum of [Ru(X)(Me)(CO)2(α-diimine)] (X = Cl, I; α-Diimine = Me-DAB, iPr-DAB; DAB = 1,4-Diaza-1,3-butadiene): An ab Initio and TD-DFT Analysis

Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes

Parameters affecting the luminescence of nanodiamond particles: Quantum chemical calculations

Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations

Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

The fluorescence of variously terminated nanodiamond particles: Quantum chemical calculations

UV−Visible Absorption Spectra of [Ru(E)(E‘)(CO)2(iPr-DAB)] (E = E‘ = SnPh3 or Cl; E = SnPh3 or Cl, E‘ = CH3; iPr-DAB = N,N‘-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations

New organic FET-like photoactive device, experiments and DFT modeling

Theoretical analysis of low-lying charge transfer states in [Ru(X) (Me)(CO)2(Me-DAB)] (XCl, I; DAB1,4-diaza-1,3-butadiene) complexes by TDDFT and CASSCF/CASPT2 methods

EPR characteristics of the [(NC)(5)M(NO)](3-) ions (M = Fe, Ru, Os). Experimental and DFT study establishing NO as a ligand

Combined experimental and theoretical DFT study of molecular nanowires negative differential resistance and interaction with gold clusters

DFT modeling of Spectral and Redox Properties of Di-and Tetranuclear Ruthenium Transition Metal Complexes with Bridging Ligands

Electron delocalization in vinyl ruthenium substituted cyclophanes: Assessment of the through-space and the through-bond pathways

Allenylidene complexes of ruthenium: synthesis, spectroscopy and electron transfer properties

The stable diiron(2.5) complex ion [(NC)(5)Fe(mu-tz)Fe(CN)5](5-), tz = 1,2,4,5-tetrazine, and its neighboring oxidation states

The Involvement of Metal-to-CO Charge Transfer and Ligand-Field Excited States in the Spectroscopy and Photochemistry of Mixed-Ligand Metal Carbonyls. A Theoretical and Spectroscopic Study of [W(CO)4(1,2-Ethylenediamine)] and [W(CO)4(N,N ‘-Bis-alkyl-1,4-diazabutadiene)]

Ligand-to-Diimine/Metal-to-Diimine Charge-Transfer Excited States of [Re(NCS)(CO)3(α-diimine)] (α-diimine = 2,2‘-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A Spectroscopic and Computational Study

Comments on “Theoretical Studies of Ground and Excited Electronic States in a Series of Halide Rhenium(I) Bipyridine Complexes”

Bridge dominated oxidation of a diruthenium 1,3-divinylphenylene complex

The Sequence of Ligand Reductions in Heteroleptic Ruthenium-Diimine Complexes: Calculation of Redox Potentials as a Diagnostic Tool

Ultrafast Photochemical Dissociation of an Equatorial CO Ligand from trans(X,X)-[Ru(X)2(CO)2(bpy)] (X = Cl, Br, I): A Picosecond Time-Resolved Infrared Spectroscopic and DFT Computational Study

Excited States of Nitro-Polypyridine Metal Complexes and Their Ultrafast Decay. Time-Resolved IR Absorption, Spectroelectrochemistry, and TD-DFT Calculations of fac-[Re(Cl)(CO)3(5-Nitro-1,10-phenanthroline)]

Nonsteroidal Anti‐inflammatory Use and LRRK2 Parkinson's Disease Penetrance

Ligand-to-ligand charge transfer states and photochemical bond homolysis in metalcarbon bonded platinum complexes

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