UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 419

Sortiert nach

Synergistic degradation of Orange G in water via water surface plasma assisted with β-Bi2O3/CaFe2O4

Korean Journal of Chemical Engineering, 2023, 40(5), 278, pp.1122-1132

2023

Link zum Volltext

Verfügbarkeit prüfen

A QM/MM Study on the X‑ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides

Journal of physical chemistry. C, 2022-09, Vol.126 (37), p.15849-15863

2022

Link zum Volltext

Verfügbarkeit prüfen

Transient X‑ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil

The journal of physical chemistry letters, 2019-11, Vol.10 (22), p.7172-7178

2019

Link zum Volltext

Verfügbarkeit prüfen

An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (31), p.8126-8134

2010

Link zum Volltext

Verfügbarkeit prüfen

MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level

Computer physics communications, 2024-03, Vol.296, p.109016, Article 109016

Hua, Weijie

2024

Link zum Volltext

Verfügbarkeit prüfen

Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations

Applied physics letters, 2024-04, Vol.124 (14)

2024

Link zum Volltext

Verfügbarkeit prüfen

On the spectral profile change in the Q band absorption spectra of metalloporphyrins (Mg, Zn, and Pd): A first-principles study

The Journal of chemical physics, 2019-04, Vol.150 (16), p.164308-164308

2019

Link zum Volltext

Verfügbarkeit prüfen

On the choice of shape and size for truncated cluster-based x-ray spectral simulations of 2D materials

The Journal of chemical physics, 2022-09, Vol.157 (9), p.094704-094704

2022

Link zum Volltext

Verfügbarkeit prüfen

A Large Protonated Water Cluster H+(H2O)27 in a 3D Metal−Organic Framework

Journal of the American Chemical Society, 2006-10, Vol.128 (41), p.13318-13319

2006

Link zum Volltext

Verfügbarkeit prüfen

Strain effect on the orientation-dependent harmonic spectrum of monolayer aluminum nitride

Science China. Physics, mechanics & astronomy, 2020-05, Vol.63 (5), p.257311, Article 257311

2020

Link zum Volltext

Verfügbarkeit prüfen

Coherent (photon) vs incoherent (current) detection of multidimensional optical signals from single molecules in open junctions

The Journal of chemical physics, 2015-06, Vol.142 (21), p.212445-212445

2015

Link zum Volltext

Verfügbarkeit prüfen

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044313-044313

2014

Link zum Volltext

Verfügbarkeit prüfen

An approach for the preparation of highly sensitive electrochemical impedimetric immunosensors for the detection of illicit drugs

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2014-07, Vol.726, p.1-6

2014

Link zum Volltext

Verfügbarkeit prüfen

Manipulating spatial alignment of donor and acceptor in host–guest MOF for TADF

National science review, 2022-09, Vol.9 (8), p.nwab222-nwab222

2022

Link zum Volltext

Verfügbarkeit prüfen

Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation

Chemical science (Cambridge), 2016-01, Vol.7 (9), p.5922-5933

2016

Link zum Volltext

Verfügbarkeit prüfen

Optimal Dispatching of Distribution Network Considering System Flexibility and User Thermal Comfort

IEEE access, 2021, Vol.9, p.107895-107908

2021

Link zum Volltext

Verfügbarkeit prüfen

Pulsed discharge plasma on water surface coupled with CaFe2O4/Bi2O3 composites for synergistic degradation of aqueous tetracycline hydrochloride

Separation and purification technology, 2021-12, Vol.279, p.119691, Article 119691

2021

Link zum Volltext

Verfügbarkeit prüfen

Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B 1s Binding Energies in Fluorinated h‑BN Nanosheets

Precision Chemistry, 2024-06, Vol.2 (6), p.239-244

2024

Link zum Volltext

Verfügbarkeit prüfen

Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (43), p.10864-10872

2008

Link zum Volltext

Verfügbarkeit prüfen

Mechanistic Insight on the Diels–Alder Reaction Catalyzed by a Self-Assembled Molecular Capsule

Journal of organic chemistry, 2013-04, Vol.78 (8), p.3577-3582

2013

Link zum Volltext

Verfügbarkeit prüfen

The role of transition dipole phase in atomic attosecond transient absorption from the multi-level model

Structural dynamics (Melville, N.Y.), 2019-09, Vol.6 (5), p.054102-054102

2019

Link zum Volltext

Verfügbarkeit prüfen

Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Applied physics letters, 2016-08, Vol.109 (8)

2016

Link zum Volltext

Verfügbarkeit prüfen

Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

Structural dynamics (Melville, N.Y.), 2016-03, Vol.3 (2), p.023601-023601

2016

Link zum Volltext

Verfügbarkeit prüfen

Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors

Journal of physical chemistry. C, 2012-11, Vol.116 (45), p.23938-23944

2012

Link zum Volltext

Verfügbarkeit prüfen

Fe L‑Edge X‑ray Absorption Spectra of Fe(II) Polypyridyl Spin Crossover Complexes from Time-Dependent Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (51), p.14075-14085

2013

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 419

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(374)
Mit Volltextzugriff
(397)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(308)
Physical Sciences
(154)
Technology
(128)
Chemistry
(116)
Life Sciences & Biomedicine
(77)
Physics
(76)
Materials Science
(63)
Chemistry, Physical
(58)
Materials Science, Multidisciplinary
(54)
Engineering
(53)
Humans
(36)
Science & Technology - Other Topics
(34)
Physics, Atomic, Molecular & Chemical
(33)
Chemistry, Multidisciplinary
(32)
Engineering, Electrical & Electronic
(29)
Physics, Applied
(29)
Animals
(22)
Nanoscience & Nanotechnology
(19)
Female
(16)
Computer Science
(15)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Synergistic degradation of Orange G in water via water surface plasma assisted with β-Bi2O3/CaFe2O4

A QM/MM Study on the X‑ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides

Transient X‑ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil

An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules

MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level

Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations

On the spectral profile change in the Q band absorption spectra of metalloporphyrins (Mg, Zn, and Pd): A first-principles study

On the choice of shape and size for truncated cluster-based x-ray spectral simulations of 2D materials

A Large Protonated Water Cluster H+(H2O)27 in a 3D Metal−Organic Framework

Strain effect on the orientation-dependent harmonic spectrum of monolayer aluminum nitride

Coherent (photon) vs incoherent (current) detection of multidimensional optical signals from single molecules in open junctions

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

An approach for the preparation of highly sensitive electrochemical impedimetric immunosensors for the detection of illicit drugs

Manipulating spatial alignment of donor and acceptor in host–guest MOF for TADF

Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation

Optimal Dispatching of Distribution Network Considering System Flexibility and User Thermal Comfort

Pulsed discharge plasma on water surface coupled with CaFe2O4/Bi2O3 composites for synergistic degradation of aqueous tetracycline hydrochloride

Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B 1s Binding Energies in Fluorinated h‑BN Nanosheets

Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach

Mechanistic Insight on the Diels–Alder Reaction Catalyzed by a Self-Assembled Molecular Capsule

The role of transition dipole phase in atomic attosecond transient absorption from the multi-level model

Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors

Fe L‑Edge X‑ray Absorption Spectra of Fe(II) Polypyridyl Spin Crossover Complexes from Time-Dependent Density Functional Theory

Suchergebnisse filtern