UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

Chemical science (Cambridge), 2019-06, Vol.1 (22), p.5749-576

2019

Volltextzugriff (PDF)

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc04023k

Chemical science (Cambridge), 2019-04, Vol.10 (22), p.5749-5760

2019

Volltextzugriff (PDF)

Photoinduced Low-Spin → High-Spin Mechanism of an Octahedral Fe(II) Complex Revealed by Synergistic Spin-Vibronic Dynamics

Inorganic chemistry, 2021-09, Vol.60 (18), p.13950-13954

Pápai, Mátyás

2021

Volltextzugriff (PDF)

Toward Simulation of Fe(II) Low-Spin → High-Spin Photoswitching by Synergistic Spin-Vibronic Dynamics

Journal of chemical theory and computation, 2022-03, Vol.18 (3), p.1329-1339

Pápai, Mátyás

2022

Volltextzugriff (PDF)

Effect of tert-Butyl Functionalization on the Photoexcited Decay of a Fe(II)‑N‑Heterocyclic Carbene Complex

Journal of physical chemistry. C, 2016-08, Vol.120 (31), p.17234-17241

2016

Volltextzugriff (PDF)

Ultrafast 3 MLCT quenching and vibrational coherence: excited-state dynamics of the first-discovered Fe( ii )–carbene sensitiser resolved

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-12, Vol.11 (47), p.25955-25962

2023

Volltextzugriff (PDF)

Ultrafast MLCT quenching and vibrational coherence: excited-state dynamics of the first-discovered Fe()-carbene sensitiser resolved

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-12, Vol.11 (47), p.25955-25962

2023

Volltextzugriff (PDF)

Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions

Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.509-519

2013

Volltextzugriff (PDF)

High-Efficiency Iron Photosensitizer Explained with Quantum Wavepacket Dynamics

The journal of physical chemistry letters, 2016-06, Vol.7 (11), p.2009-2014

2016

Volltextzugriff (PDF)

Theoretical Evidence of Solvent-Mediated Excited-State Dynamics in a Functionalized Iron Sensitizer

Journal of physical chemistry. C, 2019-01, Vol.123 (4), p.2056-2065

2019

Volltextzugriff (PDF)

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations

The Journal of chemical physics, 2019-09, Vol.151 (12)

2019

Volltextzugriff (PDF)

Exceptional Excited-State Lifetime of an Iron(II)–N‑Heterocyclic Carbene Complex Explained

The journal of physical chemistry letters, 2014-06, Vol.5 (12), p.2066-2071

2014

Volltextzugriff (PDF)

X-ray transient absorption reveals the 1Au (nπ) state of pyrazine in electronic relaxation

Nature communications, 2021-08, Vol.12 (1), p.5003-5003, Article 5003

2021

Volltextzugriff (PDF)

Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations

Journal of physical chemistry. C, 2018-04, Vol.122 (13), p.7100-7119

2018

Volltextzugriff (PDF)

Simulating the solvation structure of low- and high-spin [Fe(bpy) 3 ] 2+ : long-range dispersion and many-body effects

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (27), p.16655-16670

2022

Volltextzugriff (PDF)

Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics

The Journal of chemical physics, 2019-09, Vol.151 (10)

2019

Volltextzugriff (PDF)

Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (18), p.1964-1977

2021

Volltextzugriff (PDF)

Mechanism of Photoinduced Dihydroazulene Ring-Opening Reaction

The journal of physical chemistry letters, 2019-07, Vol.10 (14), p.3944-3949

2019

Volltextzugriff (PDF)

Nonadiabatic Charge Transfer within Photoexcited Nickel Porphyrins

The journal of physical chemistry letters, 2024-04, Vol.15 (13), p.3627-3638

2024

Volltextzugriff (PDF)

Theoretical Investigation on the Control of Macrocyclic Dihydroazulene/Azobenzene Photoswitches

Journal of physical chemistry. C, 2019-10, Vol.123 (42), p.25579-25584

2019

Volltextzugriff (PDF)

Branching mechanism of photoswitching in an Fe(II) polypyridyl complex explained by full singlet-triplet-quintet dynamics

Communications chemistry, 2023-01, Vol.6 (1), p.7-7, Article 7

2023

Volltextzugriff (PDF)

Observing Solvation Dynamics with Simultaneous Femtosecond X‑ray Emission Spectroscopy and X‑ray Scattering

The journal of physical chemistry. B, 2016-02, Vol.120 (6), p.1158-1168

2016

Volltextzugriff (PDF)

On Predicting Mössbauer Parameters of Iron-Containing Molecules with Density-Functional Theory

Journal of chemical theory and computation, 2013-11, Vol.9 (11), p.5004-5020

2013

Volltextzugriff (PDF)

Azobenzene photoisomerization dynamics: Revealing the key degrees of freedom and the long timescale of the trans-to-cis process

Journal of photochemistry and photobiology. A, Chemistry., 2022-06, Vol.428, p.113869, Article 113869

2022

Volltextzugriff (PDF)

A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation

Structural dynamics (Melville, N.Y.), 2023-05, Vol.10 (3), p.034102-034102

2023

Volltextzugriff (PDF)

1 – 25 von 60

Suche als RSS-Feed

Aktive Filter

KollektionNexis

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(60)
Mit Volltextzugriff
(60)

Publikationsform

Artikel
(60)

Sprache

Englisch
(60)

Erscheinungsjahr

n.n

Thema

Science & Technology
(36)
Chemistry
(35)
Physical Sciences
(35)
Chemistry, Physical
(26)
Physics
(21)
Physics, Atomic, Molecular & Chemical
(17)
Science & Technology - Other Topics
(14)
Materials Science
(13)
Materials Science, Multidisciplinary
(13)
Technology
(13)
Nanoscience & Nanotechnology
(12)
Fysik
(11)
Natural Sciences
(11)
Naturvetenskap
(11)
Chemical Sciences
(10)
Atom And Molecular Physics And Optics
(9)
Atom- Och Molekylfysik Och Optik
(9)
Excitation
(9)
Dynamics
(7)
Inorganic, Organic, Physical, And Analytical Chemistry
(7)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc04023k

Photoinduced Low-Spin → High-Spin Mechanism of an Octahedral Fe(II) Complex Revealed by Synergistic Spin-Vibronic Dynamics

Toward Simulation of Fe(II) Low-Spin → High-Spin Photoswitching by Synergistic Spin-Vibronic Dynamics

Effect of tert-Butyl Functionalization on the Photoexcited Decay of a Fe(II)‑N‑Heterocyclic Carbene Complex

Ultrafast 3 MLCT quenching and vibrational coherence: excited-state dynamics of the first-discovered Fe( ii )–carbene sensitiser resolved

Ultrafast MLCT quenching and vibrational coherence: excited-state dynamics of the first-discovered Fe()-carbene sensitiser resolved

Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions

High-Efficiency Iron Photosensitizer Explained with Quantum Wavepacket Dynamics

Theoretical Evidence of Solvent-Mediated Excited-State Dynamics in a Functionalized Iron Sensitizer

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations

Exceptional Excited-State Lifetime of an Iron(II)–N‑Heterocyclic Carbene Complex Explained

X-ray transient absorption reveals the 1Au (nπ) state of pyrazine in electronic relaxation

Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations

Simulating the solvation structure of low- and high-spin [Fe(bpy) 3 ] 2+ : long-range dispersion and many-body effects

Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics

Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine

Mechanism of Photoinduced Dihydroazulene Ring-Opening Reaction

Nonadiabatic Charge Transfer within Photoexcited Nickel Porphyrins

Theoretical Investigation on the Control of Macrocyclic Dihydroazulene/Azobenzene Photoswitches

Branching mechanism of photoswitching in an Fe(II) polypyridyl complex explained by full singlet-triplet-quintet dynamics

Observing Solvation Dynamics with Simultaneous Femtosecond X‑ray Emission Spectroscopy and X‑ray Scattering

On Predicting Mössbauer Parameters of Iron-Containing Molecules with Density-Functional Theory

Azobenzene photoisomerization dynamics: Revealing the key degrees of freedom and the long timescale of the trans-to-cis process

A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation

Aktive Filter

Suchergebnisse filtern