UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 31

Sortiert nach

Understanding the luminescent nature of organic radicals for efficient doublet emitters and pure-red light-emitting diodes

Nature materials, 2020-11, Vol.19 (11), p.1224-1229

2020

Volltextzugriff (PDF)

Switching between Coherent and Incoherent Singlet Fission via Solvent-Induced Symmetry Breaking

Journal of the American Chemical Society, 2019-11, Vol.141 (44), p.17558-17570

2019

Volltextzugriff (PDF)

Singlet and triplet to doublet energy transfer: improving organic light-emitting diodes with radicals

Nature communications, 2022-05, Vol.13 (1), p.2744-2744, Article 2744

2022

Volltextzugriff (PDF)

Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics"

The Journal of chemical physics, 2015-04, Vol.142 (13), p.134103-134103

2015

Volltextzugriff (PDF)

Deriving the exact nonadiabatic quantum propagator in the mapping variable representation

Faraday discussions, 2016-01, Vol.195, p.269-289

2016

Volltextzugriff (PDF)

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules

The journal of physical chemistry letters, 2018-07, Vol.9 (14), p.4053-4058

2018

Volltextzugriff (PDF)

Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory

The Journal of chemical physics, 2013-02, Vol.138 (8), p.084108-084108

2013

Volltextzugriff (PDF)

Efficient radical-based light-emitting diodes with doublet emission

Nature (London), 2018-11, Vol.563 (7732), p.536-540

2018

Volltextzugriff (PDF)

Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing

The Journal of chemical physics, 2013-08, Vol.139 (8), p.084115-084115

2013

Volltextzugriff (PDF)

On the uniqueness of t → 0+ quantum transition-state theory

The Journal of chemical physics, 2013-08, Vol.139 (8), p.084116-084116

2013

Volltextzugriff (PDF)

Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics

The Journal of chemical physics, 2015-05, Vol.142 (19), p.191101-191101

2015

Volltextzugriff (PDF)

ExROPPP: Fast, accurate, and spin-pure calculation of the electronically excited states of organic hydrocarbon radicals

The Journal of chemical physics, 2024-04, Vol.160 (16)

2024

Volltextzugriff (PDF)

Tuning Singlet Fission in π‑Bridge‑π Chromophores

Journal of the American Chemical Society, 2017-09, Vol.139 (36), p.12488-12494

2017

Volltextzugriff (PDF)

Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation

The Journal of chemical physics, 2018-03, Vol.148 (10), p.102326-102326

2018

Volltextzugriff (PDF)

Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size

The Journal of chemical physics, 2021-06, Vol.154 (24), p.244109-244109

2021

Volltextzugriff (PDF)

Inverse molecular design from first principles: Tailoring organic chromophore spectra for optoelectronic applications

The Journal of chemical physics, 2022-05, Vol.156 (18), p.180901-180901

2022

Volltextzugriff (PDF)

A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer

The Journal of chemical physics, 2017-12, Vol.147 (23), p.234103-234103

2017

Volltextzugriff (PDF)

Electronic energies from coupled fermionic “Zombie” states' imaginary time evolution

The Journal of chemical physics, 2022-05, Vol.156 (17), p.174116-174116

2022

Volltextzugriff (PDF)

On the relation between thermostatted ring-polymer molecular dynamics and exact quantum dynamics

Molecular physics, 2016-05, Vol.114 (9), p.1461-1471

Hele, Timothy J. H.

2016

Volltextzugriff (PDF)

Anticipating Acene-Based Chromophore Spectra with Molecular Orbital Arguments

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-04, Vol.123 (13), p.2527-2536

2019

Volltextzugriff (PDF)

An alternative derivation of ring-polymer molecular dynamics transition-state theory

The Journal of chemical physics, 2016-05, Vol.144 (17), p.174107-174107

2016

Volltextzugriff (PDF)

Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?

The Journal of chemical physics, 2015-08, Vol.143 (7), p.074107-074107

2015

Volltextzugriff (PDF)

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (47), p.32169-32177

2016

Volltextzugriff (PDF)

Efficient light-emitting diodes from organic radicals with doublet emission

Journal of applied physics, 2021-05, Vol.129 (18)

2021

Volltextzugriff (PDF)

Non-adiabatic reactions: general discussion

Faraday discussions, 2016-12, Vol.195, p.311-344

2016

Volltextzugriff (PDF)

1 – 25 von 31

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(31)
Mit Volltextzugriff
(30)

Publikationsform

Artikel
(31)

Sprache

Englisch
(31)
Japanisch
(8)

Erscheinungsjahr

n.n

Thema

Science & Technology
(30)
Physical Sciences
(28)
Chemistry
(27)
Chemistry, Physical
(25)
Physics
(23)
Physics, Atomic, Molecular & Chemical
(19)
Molecular Dynamics
(8)
Mathematical Analysis
(7)
Organic Light Emitting Diodes
(7)
Approximation
(6)
Polymers
(5)
Time Correlation Functions
(5)
Dynamics
(4)
Emitters
(4)
Light Emitting Diodes
(4)
Science & Technology - Other Topics
(4)
Chemistry, Multidisciplinary
(3)
Correlation
(3)
Correlation Functions
(3)
Electroluminescence
(3)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Understanding the luminescent nature of organic radicals for efficient doublet emitters and pure-red light-emitting diodes

Switching between Coherent and Incoherent Singlet Fission via Solvent-Induced Symmetry Breaking

Singlet and triplet to doublet energy transfer: improving organic light-emitting diodes with radicals

Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics"

Deriving the exact nonadiabatic quantum propagator in the mapping variable representation

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules

Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory

Efficient radical-based light-emitting diodes with doublet emission

Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing

On the uniqueness of t → 0+ quantum transition-state theory

Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics

ExROPPP: Fast, accurate, and spin-pure calculation of the electronically excited states of organic hydrocarbon radicals

Tuning Singlet Fission in π‑Bridge‑π Chromophores

Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation

Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size

Inverse molecular design from first principles: Tailoring organic chromophore spectra for optoelectronic applications

A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer

Electronic energies from coupled fermionic “Zombie” states' imaginary time evolution

On the relation between thermostatted ring-polymer molecular dynamics and exact quantum dynamics

Anticipating Acene-Based Chromophore Spectra with Molecular Orbital Arguments

An alternative derivation of ring-polymer molecular dynamics transition-state theory

Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates

Efficient light-emitting diodes from organic radicals with doublet emission

Non-adiabatic reactions: general discussion

Suchergebnisse filtern