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Metal-free organic sensitizers with narrow absorption in the visible for solar cells exceeding 10% efficiency

Energy & environmental science, 2015-01, Vol.8 (7), p.2010-2018

2015

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Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution

Journal of chemical theory and computation, 2008-07, Vol.4 (7), p.1040-1048

2008

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Push-pull organic dyes and dye-catalyst assembly featuring a benzothiadiazole unit for photoelectrochemical hydrogen production

Sustainable energy & fuels, 2022-07, Vol.6 (15), p.3565-3572

2022

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Molecular Dynamics Study of the Coordination Sphere of Trivalent Lanthanum in a Highly Concentrated LiCl Aqueous Solution: a Combined Classical and Ab Initio Approach

The journal of physical chemistry. B, 2008-08, Vol.112 (34), p.10603-10607

2008

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Organic dyes for the sensitization of nanostructured ZnO photoanodes: effect of the anchoring functions

RSC advances, 2015-01, Vol.5 (84), p.68929-68938

2015

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N -Alkyl substituted triazenide-bridged homoleptic iron(II) dimers with an exceptionally short Fe-Fe bond

Dalton transactions : an international journal of inorganic chemistry, 2024-01, Vol.53 (4), p.1439-1444

2024

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Investigation of Hybrid Molecular/Silicon Memories With Redox-Active Molecules Acting as Storage Media

IEEE transactions on nanotechnology, 2009-03, Vol.8 (2), p.204-213

2009

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A Comprehensive Theoretical View of the Bonding in Actinide Molecular Complexes

Journal of the American Chemical Society, 2006-02, Vol.128 (7), p.2190-2191

2006

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Predictions of Optical Excitations in Transition-Metal Complexes with Time Dependent-Density Functional Theory: Influence of Basis Sets

Journal of chemical theory and computation, 2005-09, Vol.1 (5), p.953-962

2005

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Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes

Journal of computational chemistry, 2003-05, Vol.24 (7), p.850-858

2003

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Performance of the `parameter free' PBE0 functional for the modeling of molecular properties of heavy metals

Chemical physics letters, 2000-07, Vol.325 (1), p.99-105

2000

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Metal-free organic sensitizers with narrow absorption in the visible for solar cells exceeding 10% efficiencyElectronic supplementary information (ESI) available: Synthetic procedure and characterization of the compounds, DFT calculation, electrochemistry measurements, fabrication and characterization of the devices, optical transmission data of the module. See DOI: 10.1039/c5ee00444f

2015-07

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A Theoretical Study of Bonding in Lanthanide Trihalides by Density Functional Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-08, Vol.102 (34), p.6812-6820

1998

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Structural and Density Functional Studies of Uranium(III) and Lanthanum(III) Complexes with a Neutral Tripodal N-Donor Ligand Suggesting the Presence of a U−N Back-Bonding Interaction

Inorganic chemistry, 2002-05, Vol.41 (9), p.2389-2399

2002

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Living polymers in organic solvents

Langmuir, 1992-09, Vol.8 (9), p.2104-2106

1992

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A Structural and Vibrational Study of Uranium(III) Molecules by Density Functional Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-10, Vol.105 (39), p.9068-9076

2001

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Synthesis, x-ray diffraction, differential scanning calorimetry, and magnetic susceptibility studies of a series of binuclear ruthenium(II) carboxylates giving liquid-crystalline phases

Chemistry of materials, 1994-01, Vol.6 (1), p.31-38

1994

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Resonance Raman, X-ray Crystallographic, and Magnetic Susceptibility Studies of Metal−Metal-Bonded MoRu and WOs Porphyrin Dimers. 1. Evidence for an Unusual MO Diagram

Inorganic chemistry, 1999-05, Vol.38 (9), p.2085-2092

1999

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Ionic versus covalent character in lanthanide complexes. A hybrid density functional study

Chemical physics letters, 1997-04, Vol.268 (1), p.61-68

1997

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A theoretical study of the bonding in trivalent americium complexes

Chemical physics letters, 2004-10, Vol.396 (4), p.452-457

2004

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Organic dyes for the sensitization of nanostructured ZnO photoanodes: effect of the anchoring functionsElectronic supplementary information (ESI) available: Details of LUMO position for the dyes, the J-V curves for different conditions for ZnO-DSSCs, the J-V curves and data information as extracted from impedance spectroscopy for TiO2-DSSCs, voltage decays and SEM image for ZnO films. See DOI: 10.1039/c5ra11762c

2015-08

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Mössbauer Characterization of an Unusual High-Spin Side-On Peroxo−Fe3+ Species in the Active Site of Superoxide Reductase from Desulfoarculus baarsii. Density Functional Calculations on Related Models

Biochemistry (Easton), 2004-07, Vol.43 (27), p.8815-8825

2004

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Structural study of crystalline and columnar copper (II) soaps

Liquid crystals, 1992-05, Vol.11 (5), p.731-744

1992

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Mixed-Valent Diruthenium Long-Chain Carboxylates. 2. Magnetic Properties

Inorganic chemistry, 1998-07, Vol.37 (15), p.3698-3704

1998

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Electronic, Magnetic, and Spectroscopic Properties of Binuclear Diruthenium Tetracarboxylates: A Theoretical and Experimental Study

Inorganic chemistry, 1999-06, Vol.38 (13), p.3030-3039

1999

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Metal-free organic sensitizers with narrow absorption in the visible for solar cells exceeding 10% efficiency

Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution

Push-pull organic dyes and dye-catalyst assembly featuring a benzothiadiazole unit for photoelectrochemical hydrogen production

Molecular Dynamics Study of the Coordination Sphere of Trivalent Lanthanum in a Highly Concentrated LiCl Aqueous Solution: a Combined Classical and Ab Initio Approach

Organic dyes for the sensitization of nanostructured ZnO photoanodes: effect of the anchoring functions

N -Alkyl substituted triazenide-bridged homoleptic iron(II) dimers with an exceptionally short Fe-Fe bond

Investigation of Hybrid Molecular/Silicon Memories With Redox-Active Molecules Acting as Storage Media

A Comprehensive Theoretical View of the Bonding in Actinide Molecular Complexes

Predictions of Optical Excitations in Transition-Metal Complexes with Time Dependent-Density Functional Theory: Influence of Basis Sets

Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes

Performance of the `parameter free' PBE0 functional for the modeling of molecular properties of heavy metals

A Theoretical Study of Bonding in Lanthanide Trihalides by Density Functional Methods

Structural and Density Functional Studies of Uranium(III) and Lanthanum(III) Complexes with a Neutral Tripodal N-Donor Ligand Suggesting the Presence of a U−N Back-Bonding Interaction

Living polymers in organic solvents

A Structural and Vibrational Study of Uranium(III) Molecules by Density Functional Methods

Synthesis, x-ray diffraction, differential scanning calorimetry, and magnetic susceptibility studies of a series of binuclear ruthenium(II) carboxylates giving liquid-crystalline phases

Resonance Raman, X-ray Crystallographic, and Magnetic Susceptibility Studies of Metal−Metal-Bonded MoRu and WOs Porphyrin Dimers. 1. Evidence for an Unusual MO Diagram

Ionic versus covalent character in lanthanide complexes. A hybrid density functional study

A theoretical study of the bonding in trivalent americium complexes

Mössbauer Characterization of an Unusual High-Spin Side-On Peroxo−Fe3+ Species in the Active Site of Superoxide Reductase from Desulfoarculus baarsii. Density Functional Calculations on Related Models

Structural study of crystalline and columnar copper (II) soaps

Mixed-Valent Diruthenium Long-Chain Carboxylates. 2. Magnetic Properties

Electronic, Magnetic, and Spectroscopic Properties of Binuclear Diruthenium Tetracarboxylates: A Theoretical and Experimental Study

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