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Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154119-154119

2019

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Fine-tuning the effect of π–π interactions on the stability of the NTB phase

Soft matter, 2018, Vol.14 (42), p.8466-8474

2018

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UV absorption spectra of DNA bases in the 350-190 nm range: assignment and state specific analysis of solvation effects

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (41), p.22782-22793

2019

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Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions

Molecules (Basel, Switzerland), 2022-03, Vol.27 (6), p.1811

2022

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Photoionization of furan from the ground and excited electronic states

The Journal of chemical physics, 2016-02, Vol.144 (8), p.084307-084307

2016

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Photoionization of pyrrole from the B2 state: a computational study on the effects of Rydberg–valence mixing

Theoretical chemistry accounts, 2020, Vol.139 (8)

2020

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Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps

Journal of chemical theory and computation, 2019-06, Vol.15 (6), p.3461-3469

2019

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Excitation and fragmentation of the dielectric gas C4F7N: Electrons vs photons

The Journal of chemical physics, 2023-01, Vol.158 (1), p.014303-014303

2023

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Induced smectic phase in binary mixtures of twist-bend nematogens

Beilstein journal of nanotechnology, 2018-04, Vol.9 (1), p.1297-1307

2018

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Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study

Journal of the American Chemical Society, 2020-10, Vol.142 (42), p.18042-18049

2020

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Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances

Physical chemistry chemical physics : PCCP, 2024-10

2024

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Photoionization of pyrrole from the $$B_2$$ state: a computational study on the effects of Rydberg–valence mixing

Theoretical chemistry accounts, 2020-08, Vol.139 (8), Article 137

2020

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Fine-tuning the effect of π-π interactions on the stability of the N TB phase

Soft matter, 2018-11, Vol.14 (42), p.8466-8474

2018

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Exploration of Excited State Deactivation Pathways of Adenine Monohydrates

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-10, Vol.119 (43), p.10637-10644

2015

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Combined Surface-Hopping, Dyson Orbital, and B‑Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine

Journal of chemical theory and computation, 2021-08, Vol.17 (8), p.5098-5109

2021

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Comparative study of the photodynamics of malonaldehyde and acetylacetone

Chemical physics, 2018-11, Vol.515, p.622-627

2018

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Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (29), p.19012-19020

2015

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Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: the True Reactive State

Journal of the American Chemical Society, 2022-11, Vol.144 (48), p.21878

2022

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Efficient update of determinants for many-electron wave function overlaps

Computer physics communications, 2021-01, Vol.258, p.107521, Article 107521

2021

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Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State

Journal of the American Chemical Society, 2022-12, Vol.144 (48), p.21878-21886

2022

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Fine-tuning the effect of π-π interactions on the stability of the NTB phaseElectronic supplementary information (ESI) available. See DOI: 10.1039/c8sm01569d

2018-10

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Photochemical deactivation pathways of microsolvated hydroxylamine

Journal of photochemistry and photobiology. A, Chemistry., 2016-09, Vol.328, p.10-15

2016

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Excitation and fragmentation of the dielectric gas C 4 F 7 N: Electrons vs photons

The Journal of chemical physics, 2023-01, Vol.158 (1), p.014303

2023

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Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02100f

2015-07

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Common surface potential of two different crystal planes

Surface innovations, 2014-09, Vol.2 (3), p.142-150

2014

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Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

Fine-tuning the effect of π–π interactions on the stability of the NTB phase

UV absorption spectra of DNA bases in the 350-190 nm range: assignment and state specific analysis of solvation effects

Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions

Photoionization of furan from the ground and excited electronic states

Photoionization of pyrrole from the B2 state: a computational study on the effects of Rydberg–valence mixing

Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps

Excitation and fragmentation of the dielectric gas C4F7N: Electrons vs photons

Induced smectic phase in binary mixtures of twist-bend nematogens

Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study

Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances

Photoionization of pyrrole from the $$B_2$$ state: a computational study on the effects of Rydberg–valence mixing

Fine-tuning the effect of π-π interactions on the stability of the N TB phase

Exploration of Excited State Deactivation Pathways of Adenine Monohydrates

Combined Surface-Hopping, Dyson Orbital, and B‑Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine

Comparative study of the photodynamics of malonaldehyde and acetylacetone

Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study

Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: the True Reactive State

Efficient update of determinants for many-electron wave function overlaps

Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State

Fine-tuning the effect of π-π interactions on the stability of the NTB phaseElectronic supplementary information (ESI) available. See DOI: 10.1039/c8sm01569d

Photochemical deactivation pathways of microsolvated hydroxylamine

Excitation and fragmentation of the dielectric gas C 4 F 7 N: Electrons vs photons

Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02100f

Common surface potential of two different crystal planes

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