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A new approach to the method of source-sink potentials for molecular conduction

The Journal of chemical physics, 2015-11, Vol.143 (19), p.194105-194105

2015

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A Simple Model of Ballistic Conduction in Multi-Lead Molecular Devices

Applied sciences, 2021-12, Vol.11 (24), p.11696

2021

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Near omni-conductors and insulators: Alternant hydrocarbons in the SSP model of ballistic conduction

The Journal of chemical physics, 2017-10, Vol.147 (16), p.164115-164115

2017

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A graph-theoretical model for ballistic conduction in single-molecule conductors

Pure and applied chemistry, 2011-04, Vol.83 (8), p.1515-1528

2011

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A Correlated Source-Sink-Potential Model Consistent with the Meir–Wingreen Formula

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-08, Vol.124 (34), p.6928-6944

2020

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Molecular graphs and molecular conduction: the d-omni-conductors

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (3), p.1349-1358

2020

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In search of Coulson’s lost theorem

The Journal of chemical physics, 2019-10, Vol.151 (15), p.151101-151101

2019

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A Hückel source-sink-potential theory of Pauli spin blockade in molecular electronic devices

The Journal of chemical physics, 2016-11, Vol.145 (20), p.204113-204113

2016

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Chemical Tools for Studying Phosphohistidine: Generation of Selective τ‐Phosphohistidine and π‐Phosphohistidine Antibodies

Chembiochem : a European journal of chemical biology, 2023-08, Vol.24 (16), p.e202300182-n/a

2023

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Ionisation of the ZincIodine Bond of Alkylzinc Iodides in Dimethylformamide from Theory and Experiment

Chemistry : a European journal, 2008-10, Vol.14 (29), p.8798-8802

2008

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A smooth permittivity function for Poisson-Boltzmann solvation methods

Journal of computational chemistry, 2001-04, Vol.22 (6), p.608-640

2001

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Evidence for the Role of Tetramethylethylenediamine in Aqueous Negishi Cross-Coupling: Synthesis of Nonproteinogenic Phenylalanine Derivatives on Water

Journal of organic chemistry, 2011-03, Vol.76 (6), p.1727-1734

2011

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Small Molecule Shape-Fingerprints

Journal of chemical information and modeling, 2005-05, Vol.45 (3), p.673-684

2005

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Lingos, Finite State Machines, and Fast Similarity Searching

Journal of chemical information and modeling, 2006-09, Vol.46 (5), p.1912-1918

2006

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Gas-phase study of new organozinc reagents by IRMPD-spectroscopy, computational modelling and tandem-MS

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (29), p.13255-13267

2011

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Structure Elucidation of Dimethylformamide-Solvated Alkylzinc Cations in the Gas Phase

Journal of organic chemistry, 2010-02, Vol.75 (4), p.1203-1213

2010

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Bounds on Molecular Properties of π Systems: First-order Properties

Match (Mülheim), 2024, Vol.92 (2), p.371-416

2024

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Molecular graphs and molecular conduction: the -omni-conductors

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (3), p.1349-1358

2020

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Plane wave and orthogonalized plane wave many-body Green's function calculations of photoionization intensities

Molecular physics, 1994-11, Vol.83 (4), p.655-686

1994

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Spectra and structural polynomials of graphs of relevance to the theory of molecular conduction

Ars mathematica contemporanea, 2017-01, Vol.13 (2), p.379-408

2017

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Calculation of molecular response properties with the second-order coupled perturbed electron propagator

International journal of quantum chemistry, 2000, Vol.77 (3), p.625-640

2000

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Interlacing–extremal graphs

Ars mathematica contemporanea, 2013-01, Vol.6 (2), p.261-278

2013

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Theoretical study of spectral differences in the XPS valence bands of polyethylene lamellae and films

Journal of physical chemistry (1952), 1993-05, Vol.97 (19), p.5115-5123

1993

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On the theory of fast photoionization processes

Chemical physics, 1977-01, Vol.19 (2), p.193-208

Pickup, Barry T.

1977

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Diagonal Two-Particle-Hole Tamm-Dankoff Approximation Green's Function Simulation of the Valence X-ray Photoelectron Spectra of Cycloalkanes: Theoretical Search for Signatures of the Molecular Structure

Journal of physical chemistry (1952), 1994-03, Vol.98 (9), p.2382-2396

1994

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A new approach to the method of source-sink potentials for molecular conduction

A Simple Model of Ballistic Conduction in Multi-Lead Molecular Devices

Near omni-conductors and insulators: Alternant hydrocarbons in the SSP model of ballistic conduction

A graph-theoretical model for ballistic conduction in single-molecule conductors

A Correlated Source-Sink-Potential Model Consistent with the Meir–Wingreen Formula

Molecular graphs and molecular conduction: the d-omni-conductors

In search of Coulson’s lost theorem

A Hückel source-sink-potential theory of Pauli spin blockade in molecular electronic devices

Chemical Tools for Studying Phosphohistidine: Generation of Selective τ‐Phosphohistidine and π‐Phosphohistidine Antibodies

Ionisation of the ZincIodine Bond of Alkylzinc Iodides in Dimethylformamide from Theory and Experiment

A smooth permittivity function for Poisson-Boltzmann solvation methods

Evidence for the Role of Tetramethylethylenediamine in Aqueous Negishi Cross-Coupling: Synthesis of Nonproteinogenic Phenylalanine Derivatives on Water

Small Molecule Shape-Fingerprints

Lingos, Finite State Machines, and Fast Similarity Searching

Gas-phase study of new organozinc reagents by IRMPD-spectroscopy, computational modelling and tandem-MS

Structure Elucidation of Dimethylformamide-Solvated Alkylzinc Cations in the Gas Phase

Bounds on Molecular Properties of π Systems: First-order Properties

Molecular graphs and molecular conduction: the -omni-conductors

Plane wave and orthogonalized plane wave many-body Green's function calculations of photoionization intensities

Spectra and structural polynomials of graphs of relevance to the theory of molecular conduction

Calculation of molecular response properties with the second-order coupled perturbed electron propagator

Interlacing–extremal graphs

Theoretical study of spectral differences in the XPS valence bands of polyethylene lamellae and films

On the theory of fast photoionization processes

Diagonal Two-Particle-Hole Tamm-Dankoff Approximation Green's Function Simulation of the Valence X-ray Photoelectron Spectra of Cycloalkanes: Theoretical Search for Signatures of the Molecular Structure

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