UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 42

Sortiert nach

Theoretical study of photodetachment spectroscopy of hydrogenated boron cluster anion H2B7− and its deuterated isotopomer

The Journal of chemical physics, 2017-11, Vol.147 (19), p.194305-194305

2017

Link zum Volltext

Verfügbarkeit prüfen

Elucidation of vibronic structure and dynamics of first eight excited electronic states of pentafluorobenzene

The Journal of chemical physics, 2022-11, Vol.157 (20), p.204304-204304

2022

Link zum Volltext

Verfügbarkeit prüfen

Structure-property correlation of bicyclohexane nematic liquid crystals

Liquid crystals, 2015-03, Vol.42 (3), p.328-333

2015

Link zum Volltext

Verfügbarkeit prüfen

Theoretical study of photodetachment spectroscopy of hydrogenated boron cluster anion H2 B 7 − and its deuterated isotopomer

The Journal of chemical physics, 2017-11, Vol.147 (19)

2017

Link zum Volltext

Verfügbarkeit prüfen

Designing UiO-66-Based Superprotonic Conductor with the Highest Metal–Organic Framework Based Proton Conductivity

ACS applied materials & interfaces, 2019-04, Vol.11 (14), p.13423-13432

2019

Link zum Volltext

Verfügbarkeit prüfen

Non-adiabatic effects in the Ã 2 B 2 and $\tilde{B}^2 \bf{A}_1$ states of CH 2 F 2 + through coupling vibrational modes

Journal of physics. Conference series, 2016-10, Vol.759, p.12058

Sarkar, Rudraditya

2016

Link zum Volltext

Verfügbarkeit prüfen

Non-adiabatic effects in the Ã2B2 and states of CH2F2+ through coupling vibrational modes

Journal of physics. Conference series, 2016-10, Vol.759 (1)

Sarkar, Rudraditya

2016

Link zum Volltext

Verfügbarkeit prüfen

Non-adiabatic effects in the Ã 2B2 and states of CH2F2 + through coupling vibrational modes

Journal of physics. Conference series, 2016-10, Vol.759 (1)

Sarkar, Rudraditya

2016

Link zum Volltext

Verfügbarkeit prüfen

Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing

ACS omega, 2018-03, Vol.3 (3), p.3022-3035

2018

Link zum Volltext

Verfügbarkeit prüfen

Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments

Journal of chemical theory and computation, 2021-02, Vol.17 (2), p.1117-1132

2021

Link zum Volltext

Verfügbarkeit prüfen

An unbiased confirmation of the participating isomers of CB in the formation of its photo-detachment spectra: a theoretical study

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (4), p.316-3175

2021

Link zum Volltext

Verfügbarkeit prüfen

Photodetachment band of the fluorenyl anion: a theoretical rationalization

Physical chemistry chemical physics : PCCP, 2023-08, Vol.25 (3), p.2668-2679

2023

Link zum Volltext

Verfügbarkeit prüfen

Vibronic Dynamics of Electronic Ground State of CH 2 F 2 + and Its Deuterated Isotopomer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (20), p.3504-3517

2016

Link zum Volltext

Verfügbarkeit prüfen

Theoretical Rationalization of the Dual Photophysical Behavior of C60

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-03, Vol.123 (9), p.1824-1829

2019

Link zum Volltext

Verfügbarkeit prüfen

Photodetachment spectroscopy of carbon doped anionic boron cluster, CB9-: A theoretical study

Chemical physics, 2018-11, Vol.515, p.679-691

2018

Link zum Volltext

Verfügbarkeit prüfen

Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

Journal of chemical theory and computation, 2022-04, Vol.18 (4), p.2418-2436

2022

Link zum Volltext

Verfügbarkeit prüfen

An unbiased confirmation of the participating isomers of C2B5− in the formation of its photo-detachment spectra: a theoretical study

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (4), p.3160-3175

2021

Link zum Volltext

Verfügbarkeit prüfen

Vibronic coupling in the first four electronic states of CH2F+2

Molecular physics, 2015-10, Vol.113 (19-20), p.3073-3084

2015

Link zum Volltext

Verfügbarkeit prüfen

An unbiased confirmation of the participating isomers of C 2 B 5 - in the formation of its photo-detachment spectra: a theoretical study

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (4), p.3160-3175

2021

Link zum Volltext

Verfügbarkeit prüfen

Dihydropyrene/Cyclophanediene Photoswitching Mechanism Revisited with Spin-Flip Time-Dependent Density Functional Theory: Nature of the Photoisomerization Funnel at Stake

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-04, Vol.127 (13), p.2921-2935

2023

Link zum Volltext

Verfügbarkeit prüfen

Vibronic coupling in the first four electronic states of CH sub(2)F super(+) sub(2 )

Molecular physics, 2015-10, Vol.113 (19-20), p.3073-3084

2015

Link zum Volltext

Verfügbarkeit prüfen

Vibronic coupling in the first four electronic states of CH 2 F + 2

Molecular physics, 2015-10, Vol.113 (19-20), p.3073-3084

2015

Link zum Volltext

Verfügbarkeit prüfen

Understanding of the Photodetachment Spectrum of Anionic Mixed Carbon–Boron Cluster C3B5 – Following Adiabatic and Nonadiabatic Quantum Chemistry Approaches

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-07, Vol.126 (28), p.4563-4576

2022

Link zum Volltext

Verfügbarkeit prüfen

Understanding of the Photodetachment Spectrum of Anionic Mixed Carbon–Boron Cluster C 3 B 5 – Following Adiabatic and Nonadiabatic Quantum Chemistry Approaches

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-07, Vol.126 (28), p.4563-4576

2022

Link zum Volltext

Verfügbarkeit prüfen

Vibronic Dynamics of Electronic Ground State of CH2F2 + and Its Deuterated Isotopomer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (20), p.3504-3517

2016

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 42

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(42)
Mit Volltextzugriff
(42)

Publikationsform

Artikel
(42)

Sprache

Englisch
(41)
Japanisch
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(22)
Chemistry
(20)
Physical Sciences
(20)
Chemistry, Physical
(15)
Physics
(15)
Physics, Atomic, Molecular & Chemical
(15)
Chemical Sciences
(9)
Electron States
(7)
Or Physical Chemistry
(7)
Theoretical And
(7)
Coupling
(5)
Density Functional Theory
(4)
Electronic Structure
(4)
Excitation
(4)
Organic Chemistry
(4)
Quantum Chemistry
(4)
Adiabatic Flow
(3)
Band Theory
(3)
Banded Structure
(3)
Chemistry, Multidisciplinary
(3)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Theoretical study of photodetachment spectroscopy of hydrogenated boron cluster anion H2B7− and its deuterated isotopomer

Elucidation of vibronic structure and dynamics of first eight excited electronic states of pentafluorobenzene

Structure-property correlation of bicyclohexane nematic liquid crystals

Theoretical study of photodetachment spectroscopy of hydrogenated boron cluster anion H2 B 7 − and its deuterated isotopomer

Designing UiO-66-Based Superprotonic Conductor with the Highest Metal–Organic Framework Based Proton Conductivity

Non-adiabatic effects in the Ã 2 B 2 and $\tilde{B}^2 \bf{A}_1$ states of CH 2 F 2 + through coupling vibrational modes

Non-adiabatic effects in the Ã2B2 and states of CH2F2+ through coupling vibrational modes

Non-adiabatic effects in the Ã 2B2 and states of CH2F2 + through coupling vibrational modes

Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing

Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments

An unbiased confirmation of the participating isomers of CB in the formation of its photo-detachment spectra: a theoretical study

Photodetachment band of the fluorenyl anion: a theoretical rationalization

Vibronic Dynamics of Electronic Ground State of CH 2 F 2 + and Its Deuterated Isotopomer

Theoretical Rationalization of the Dual Photophysical Behavior of C60

Photodetachment spectroscopy of carbon doped anionic boron cluster, CB9-: A theoretical study

Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

An unbiased confirmation of the participating isomers of C2B5− in the formation of its photo-detachment spectra: a theoretical study

Vibronic coupling in the first four electronic states of CH2F+2

An unbiased confirmation of the participating isomers of C 2 B 5 - in the formation of its photo-detachment spectra: a theoretical study

Dihydropyrene/Cyclophanediene Photoswitching Mechanism Revisited with Spin-Flip Time-Dependent Density Functional Theory: Nature of the Photoisomerization Funnel at Stake

Vibronic coupling in the first four electronic states of CH sub(2)F super(+) sub(2 )

Vibronic coupling in the first four electronic states of CH 2 F + 2

Understanding of the Photodetachment Spectrum of Anionic Mixed Carbon–Boron Cluster C3B5 – Following Adiabatic and Nonadiabatic Quantum Chemistry Approaches

Understanding of the Photodetachment Spectrum of Anionic Mixed Carbon–Boron Cluster C 3 B 5 – Following Adiabatic and Nonadiabatic Quantum Chemistry Approaches

Vibronic Dynamics of Electronic Ground State of CH2F2 + and Its Deuterated Isotopomer

Suchergebnisse filtern