UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 33

Sortiert nach

NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Journal of chemical theory and computation, 2020-09, Vol.16 (9), p.5771-5783

2020

Volltextzugriff (PDF)

Twisting Aromaticity and Photoinduced Dynamics in Hexapole Helicenes

The journal of physical chemistry letters, 2023-11, Vol.14 (45), p.10145-10150

2023

Volltextzugriff (PDF)

Ultrafast coherent photoexcited dynamics in a trimeric dendrimer probed by X-ray stimulated-Raman signals

Chemical science (Cambridge), 2022-06, Vol.13 (21), p.6373-6384

2022

Volltextzugriff (PDF)

Electronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton

Journal of chemical theory and computation, 2024-07, Vol.20 (14), p.5820-5828

2024

Volltextzugriff (PDF)

Impact of the core on the inter-branch exciton exchange in dendrimers

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (17), p.1297-1216

2023

Volltextzugriff (PDF)

Monitoring molecular vibronic coherences in a bichromophoric molecule by ultrafast X-ray spectroscopy

Chemical science (Cambridge), 2021-04, Vol.12 (14), p.5286-5294

2021

Volltextzugriff (PDF)

X‑ray and Optical Circular Dichroism as Local and Global Ultrafast Chiral Probes of [12]Helicene Racemization

Journal of the American Chemical Society, 2023-09, Vol.145 (38), p.21012-21019

2023

Volltextzugriff (PDF)

Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (5), p.733-741

2022

Volltextzugriff (PDF)

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

Journal of chemical theory and computation, 2021-06, Vol.17 (6), p.3629-3643

2021

Volltextzugriff (PDF)

Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence

The journal of physical chemistry letters, 2021-03, Vol.12 (11), p.2970-2982

2021

Volltextzugriff (PDF)

Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers

The journal of physical chemistry letters, 2024-04, Vol.15 (15), p.4142-4150

2024

Volltextzugriff (PDF)

An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (26), p.17762-17772

2018

Volltextzugriff (PDF)

Charge-Transfer Luminescence in a Molecular Donor–Acceptor Complex: Computational Insights

The journal of physical chemistry letters, 2022-09, Vol.13 (37), p.8755-8760

2022

Volltextzugriff (PDF)

Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring

Physical chemistry chemical physics : PCCP, 2022-10, Vol.24 (39), p.2495-2414

2022

Volltextzugriff (PDF)

Back-and-Forth Energy Transfer during Electronic Relaxation in a Chlorin–Perylene Dyad

The journal of physical chemistry letters, 2021-10, Vol.12 (42), p.10394-10401

2021

Volltextzugriff (PDF)

The impact of stacking and phonon environment on energy transfer in organic chromophores: computational insights

Journal of materials chemistry. C, Materials for optical and electronic devices, 2023-04, Vol.11 (16), p.5297-536

2023

Volltextzugriff (PDF)

Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study

Chemical science (Cambridge), 2023-03, Vol.14 (11), p.2971-2982

2023

Volltextzugriff (PDF)

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

The Journal of chemical physics, 2020-12, Vol.153 (24), p.244114-244114

2020

Volltextzugriff (PDF)

NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Journal of chemical theory and computation, 2023-08, Vol.19 (16), p.5356-5368

2023

Volltextzugriff (PDF)

Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (38), p.8404-8416

2021

Volltextzugriff (PDF)

Exploring Conformational Space with Thermal Fluctuations Obtained by Normal-Mode Analysis

Journal of chemical information and modeling, 2020-06, Vol.60 (6), p.3068-3080

2020

Volltextzugriff (PDF)

Photoexcited Energy Relaxation in a Zigzag Carbon Nanobelt

Journal of physical chemistry. C, 2023-03, Vol.127 (11), p.5449-5456

2023

Volltextzugriff (PDF)

Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations

Chemical science (Cambridge), 2024-01

2024

Volltextzugriff (PDF)

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

The Journal of chemical physics, 2020-12, Vol.153 (24)

2020

Volltextzugriff (PDF)

Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks

The Journal of chemical physics, 2019-03, Vol.150 (12)

2019

Volltextzugriff (PDF)

1 – 25 von 33

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(31)
Mit Volltextzugriff
(33)

Publikationsform

Artikel
(33)

Sprache

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 30 Tagen
(1)
... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Twisting Aromaticity and Photoinduced Dynamics in Hexapole Helicenes

Ultrafast coherent photoexcited dynamics in a trimeric dendrimer probed by X-ray stimulated-Raman signals

Electronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton

Impact of the core on the inter-branch exciton exchange in dendrimers

Monitoring molecular vibronic coherences in a bichromophoric molecule by ultrafast X-ray spectroscopy

X‑ray and Optical Circular Dichroism as Local and Global Ultrafast Chiral Probes of [12]Helicene Racemization

Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence

Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers

An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules

Charge-Transfer Luminescence in a Molecular Donor–Acceptor Complex: Computational Insights

Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring

Back-and-Forth Energy Transfer during Electronic Relaxation in a Chlorin–Perylene Dyad

The impact of stacking and phonon environment on energy transfer in organic chromophores: computational insights

Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw

Exploring Conformational Space with Thermal Fluctuations Obtained by Normal-Mode Analysis

Photoexcited Energy Relaxation in a Zigzag Carbon Nanobelt

Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks

Suchergebnisse filtern