Publications de Máté Visegrádi

On-the-fly ab initio Hagedorn wave-packet dynamics: Single vibronic level fluorescence spectra of difluorocarbene

Jiri Vanicek, Zhan Tong Zhang, Máté Visegrádi

Hagedorn wave packets have been used to compute single vibronic level (SVL) spectra efficiently in model harmonic potentials. To make the Hagedorn approach practical for realistic polyatomic molecules with anharmonicity, here we combine local harmonic Hage ...

American Physical Society (APS)2025

Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T

David Lyndon Emsley, Federico De Biasi, Máté Visegrádi, Michael Allan Hope

Solid-state photochemically induced dynamic nuclear polarization (photo-CIDNP) is a nuclear magnetic resonance spectroscopy technique in which nuclear spin hyperpolarization is generated upon optical irradiation of an appropriate donor-acceptor system. Unt ...

Amer Chemical Soc2024

Mechanism of Solid-State 1H Photochemically Induced Dynamic Nuclear Polarization in a Synthetic Donor-Chromophore-Acceptor at 0.3 T

David Lyndon Emsley, Federico De Biasi, Máté Visegrádi

1H photochemically induced dynamic nuclear polarization (photo-CIDNP) has recently emerged as a tool to enhance bulk 1H nuclear magnetic resonance (NMR) signals in solids at magnetic fields ranging from 0.3 to 21.1 T, using synthetic donor-chromophore-acce ...

2024

Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T

David Lyndon Emsley, Federico De Biasi, Máté Visegrádi, Michael Allan Hope

The inherently low sensitivity of nuclear magnetic resonance (NMR) spectroscopy is the major limiting factor for its application to elucidate structure and dynamics in solids. In the solid state, nuclear spin hyperpolarization methods based on microwave-in ...

2024