UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 222

Sortiert nach

Multidimensional quantum dynamics: MCTDH theory and applications.

1, 2009

Link zum Volltext

Verfügbarkeit prüfen

Improved algorithm for the direct dynamics variational multi-configurational Gaussian method

The Journal of chemical physics, 2021-03, Vol.154 (12), p.124127-124127

2021

Link zum Volltext

Verfügbarkeit prüfen

Micro-Solvated DMABN: Excited State Quantum Dynamics and Dual Fluorescence Spectra

Molecules (Basel, Switzerland), 2021-11, Vol.26 (23), p.7247

2021

Link zum Volltext

Verfügbarkeit prüfen

Beyond Born-Oppenheimer: molecular dynamics through a conical intersection

Annual review of physical chemistry, 2004-01, Vol.55 (1), p.127-158

2004

Link zum Volltext

Verfügbarkeit prüfen

How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation

The Journal of chemical physics, 2022-06, Vol.156 (24), p.244114-244114

2022

Link zum Volltext

Verfügbarkeit prüfen

Excited state non-adiabatic dynamics of pyrrole: a time-resolved photoelectron spectroscopy and quantum dynamics study

The Journal of chemical physics, 2015-02, Vol.142 (7), p.074302-074302

2015

Link zum Volltext

Verfügbarkeit prüfen

Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers

Nature communications, 2016-04, Vol.7 (1), p.11357-11357, Article 11357

2016

Link zum Volltext

Verfügbarkeit prüfen

Control of nuclear dynamics in the benzene cation by electronic wavepacket composition

Communications chemistry, 2021-04, Vol.4 (1), p.48-48, Article 48

2021

Link zum Volltext

Verfügbarkeit prüfen

Excited-state dynamics

Wiley interdisciplinary reviews. Computational molecular science, 2011-05, Vol.1 (3), p.460-475

2011

Link zum Volltext

Verfügbarkeit prüfen

On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model

The Journal of chemical physics, 2022-11, Vol.157 (20), p.204301-204301

2022

Link zum Volltext

Verfügbarkeit prüfen

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism

The journal of physical chemistry letters, 2024-02, Vol.15 (8), p.2216-2221

2024

Link zum Volltext

Verfügbarkeit prüfen

Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (41), p.23684-23695

2021

Link zum Volltext

Verfügbarkeit prüfen

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO 2 and Its Relation to NO Formation through a Roaming Mechanism

The journal of physical chemistry letters, 2024-02, Vol.15 (8), p.2216-2221

2024

Link zum Volltext

Verfügbarkeit prüfen

Non-Resonant Dynamic Stark Control at a Conical Intersection: The Photodissociation of Ammonia

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-11, Vol.116 (46), p.11228-11240

2012

Link zum Volltext

Verfügbarkeit prüfen

How important is roaming in the photodegradation of nitrobenzene?

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (28), p.15945-15952

2020

Link zum Volltext

Verfügbarkeit prüfen

Insights into the Complex Photophysics and Photochemistry of the Simplest Nitroaromatic Compound: A CASPT2//CASSCF Study on Nitrobenzene

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2777-2788

2017

Link zum Volltext

Verfügbarkeit prüfen

A model Hamiltonian to simulate the complex photochemistry of benzene II

The Journal of chemical physics, 2009-08, Vol.131 (6), p.064303-064303-12

2009

Link zum Volltext

Verfügbarkeit prüfen

A Straightforward Method of Analysis for Direct Quantum Dynamics: Application to the Photochemistry of a Model Cyanine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (33), p.8713-8729

2010

Link zum Volltext

Verfügbarkeit prüfen

Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

The Journal of chemical physics, 2016-01, Vol.144 (1), p.014309-014309

2016

Link zum Volltext

Verfügbarkeit prüfen

Quantum Interference Paves the Way for Long-Lived Electronic Coherences

Physical review letters, 2022-10, Vol.129 (17), p.173203-173203, Article 173203

2022

Link zum Volltext

Verfügbarkeit prüfen

Controlling Electronic Coherences and the Curvature Induced by the Derivative Coupling at a Conical Intersection: A Quantum Ehrenfest (QuEh) Protocol for Reaction Path Following Application to “Channel 3” Benzene Photochemistry

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-07, Vol.128 (27), p.5408-5415

2024

Link zum Volltext

Verfügbarkeit prüfen

Quantum dynamics of excited state proton transfer in green fluorescent protein

The Journal of chemical physics, 2024-02, Vol.160 (6)

2024

Link zum Volltext

Verfügbarkeit prüfen

On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points

The journal of physical chemistry letters, 2020-07, Vol.11 (13), p.4984-4989

2020

Link zum Volltext

Verfügbarkeit prüfen

Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (2), p.1514-1522

2019

Link zum Volltext

Verfügbarkeit prüfen

Controlling S1/S0 Decay and the Balance between Photochemistry and Photostability in Benzene: A Direct Quantum Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (50), p.13017-13027

2008

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 222

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(183)
Mit Volltextzugriff
(213)

Publikationsform

Sprache

Englisch
(219)
Japanisch
(25)

Erscheinungsjahr

n.n

Thema

Science & Technology
(143)
Chemistry
(100)
Physical Sciences
(100)
Chemistry, Physical
(86)
Physics
(85)
Physics, Atomic, Molecular & Chemical
(73)
Life Sciences & Biomedicine
(44)
Humans
(32)
Chemical Sciences
(31)
Dynamics
(18)
Female
(18)
Quantum Theory
(18)
Male
(16)
Time Dependence
(16)
Excitation
(13)
Immunology
(13)
Biological And Medical Sciences
(12)
Computer Simulation
(12)
Wave Packets
(12)
Mathematical Analysis
(11)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

Multidimensional quantum dynamics: MCTDH theory and applications.

Improved algorithm for the direct dynamics variational multi-configurational Gaussian method

Micro-Solvated DMABN: Excited State Quantum Dynamics and Dual Fluorescence Spectra

Beyond Born-Oppenheimer: molecular dynamics through a conical intersection

How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation

Excited state non-adiabatic dynamics of pyrrole: a time-resolved photoelectron spectroscopy and quantum dynamics study

Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers

Control of nuclear dynamics in the benzene cation by electronic wavepacket composition

Excited-state dynamics

On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism

Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO 2 and Its Relation to NO Formation through a Roaming Mechanism

Non-Resonant Dynamic Stark Control at a Conical Intersection: The Photodissociation of Ammonia

How important is roaming in the photodegradation of nitrobenzene?

Insights into the Complex Photophysics and Photochemistry of the Simplest Nitroaromatic Compound: A CASPT2//CASSCF Study on Nitrobenzene

A model Hamiltonian to simulate the complex photochemistry of benzene II

A Straightforward Method of Analysis for Direct Quantum Dynamics: Application to the Photochemistry of a Model Cyanine

Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

Quantum Interference Paves the Way for Long-Lived Electronic Coherences

Controlling Electronic Coherences and the Curvature Induced by the Derivative Coupling at a Conical Intersection: A Quantum Ehrenfest (QuEh) Protocol for Reaction Path Following Application to “Channel 3” Benzene Photochemistry

Quantum dynamics of excited state proton transfer in green fluorescent protein

On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points

Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems

Controlling S1/S0 Decay and the Balance between Photochemistry and Photostability in Benzene: A Direct Quantum Dynamics Study

Suchergebnisse filtern