UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 184

Sortiert nach

Accurate Simulation of Optical Properties in Dyes

Accounts of chemical research, 2009-02, Vol.42 (2), p.326-334

2009

Volltextzugriff (PDF)

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

Journal of chemical theory and computation, 2009-09, Vol.5 (9), p.2420-2435

2009

Volltextzugriff (PDF)

Assessment of Functionals for TD-DFT Calculations of Singlet−Triplet Transitions

Journal of chemical theory and computation, 2010-05, Vol.6 (5), p.1532-1537

2010

Volltextzugriff (PDF)

Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives

Journal of physical chemistry. C, 2009-09, Vol.113 (38), p.16821-16833

2009

Volltextzugriff (PDF)

On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

Journal of chemical theory and computation, 2010-07, Vol.6 (7), p.2071-2085

2010

Volltextzugriff (PDF)

Towards new efficient dye-sensitised solar cells

Energy & environmental science, 2010-01, Vol.3 (7), p.891-94

2010

Volltextzugriff (PDF)

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids

Journal of chemical theory and computation, 2008-01, Vol.4 (1), p.123-135

2008

Volltextzugriff (PDF)

A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

The journal of physical chemistry. B, 2013-05, Vol.117 (17), p.4973-4980

2013

Volltextzugriff (PDF)

Assessment of the efficiency of long-range corrected functionals for some properties of large compounds

The Journal of chemical physics, 2007-04, Vol.126 (14), p.144105-144105

2007

Volltextzugriff (PDF)

Refolding and biophysical characterization of the Caulobacter crescentus copper resistance protein, PcoB: An outer membrane protein containing an intrinsically disordered domain

Biochimica et biophysica acta. Biomembranes, 2022-12, Vol.1864 (12), p.184038-184038, Article 184038

2022

Volltextzugriff (PDF)

Structural characterisation of amyloidogenic intrinsically disordered zinc finger protein isoforms DPF3b and DPF3a

International journal of biological macromolecules, 2022-10, Vol.218, p.57-71

2022

Volltextzugriff (PDF)

Self-standing, conducting and capacitive biomimetic hybrid nanomembranes for selective molecular ion separation

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (3), p.16157-16164

2021

Volltextzugriff (PDF)

Design of New Triphenylamine-Sensitized Solar Cells: A Theoretical Approach

Environmental science & technology, 2010-07, Vol.44 (14), p.5666-5671

2010

Volltextzugriff (PDF)

Thioindigo Dyes: Highly Accurate Visible Spectra with TD-DFT

Journal of the American Chemical Society, 2006-02, Vol.128 (6), p.2072-2083

2006

Volltextzugriff (PDF)

Purification and Characterization of Trehalase From Acyrthosiphon pisum, a Target for Pest Control

The Protein Journal, 2022-02, Vol.41 (1), p.189-200

2022

Volltextzugriff (PDF)

Investigation of the photoinduced electron injection processes for p-type triphenylamine-sensitized solar cells

Energy & environmental science, 2011, Vol.4 (11), p.4537-4549

2011

Volltextzugriff (PDF)

Revealing Intrinsic Disorder and Aggregation Properties of the DPF3a Zinc Finger Protein

ACS omega, 2021-07, Vol.6 (29), p.18793-18801

2021

Volltextzugriff (PDF)

Structural and functional characterization of Solanum tuberosum VDAC36

Proteins, structure, function, and bioinformatics, 2020-06, Vol.88 (6), p.729-739

2020

Volltextzugriff (PDF)

Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties

European journal of inorganic chemistry, 2014-08, Vol.2014 (23), p.3747-3753

2014

Volltextzugriff (PDF)

Comparison of Microhydration Methods: Protonated Glycine as a Working Example

The journal of physical chemistry. B, 2011-04, Vol.115 (13), p.3604-3613

2011

Volltextzugriff (PDF)

First hyperpolarizability of polymethineimine with long-range corrected functionals

The Journal of chemical physics, 2007-05, Vol.126 (19), p.191108-191108-4

2007

Volltextzugriff (PDF)

Assessment of long-range corrected functionals performance for n-->pi transitions in organic dyes

The Journal of chemical physics, 2007-09, Vol.127 (9), p.094102-094102

2007

Volltextzugriff (PDF)

Peptide-surfactant interactions: A combined spectroscopic and molecular dynamics simulation approach

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-02, Vol.190, p.464-470

2018

Volltextzugriff (PDF)

Confinement of a β-barrel protein in nanoperforated free-standing nanomembranes for ion transport

Nanoscale, 2016-09, Vol.8 (38), p.16922-16935

2016

Volltextzugriff (PDF)

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

The Journal of chemical physics, 2006-10, Vol.125 (16), p.164324-164324-11

2006

Volltextzugriff (PDF)

1 – 25 von 184

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(161)
Mit Volltextzugriff
(184)

Publikationsform

Artikel
(180)
Texte
(2)
Buchkapitel
(1)
Bücher
(1)

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(155)
Physical Sciences
(141)
Chemistry
(135)
Chemistry, Physical
(111)
Physics
(86)
Physics, Atomic, Molecular & Chemical
(81)
Technology
(25)
Chemical Sciences
(19)
Life Sciences & Biomedicine
(19)
Materials Science
(15)
Td-Dft
(15)
Models, Molecular
(14)
Mathematics
(13)
Mathematics, Interdisciplinary Applications
(13)
Quantum Science & Technology
(13)
Biochemistry & Molecular Biology
(12)
Chemistry, Multidisciplinary
(12)
Absorption Spectra
(11)
Exact Sciences And Technology
(11)
Molecular Dynamics
(11)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Accurate Simulation of Optical Properties in Dyes

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

Assessment of Functionals for TD-DFT Calculations of Singlet−Triplet Transitions

Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives

On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

Towards new efficient dye-sensitised solar cells

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids

A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

Assessment of the efficiency of long-range corrected functionals for some properties of large compounds

Refolding and biophysical characterization of the Caulobacter crescentus copper resistance protein, PcoB: An outer membrane protein containing an intrinsically disordered domain

Structural characterisation of amyloidogenic intrinsically disordered zinc finger protein isoforms DPF3b and DPF3a

Self-standing, conducting and capacitive biomimetic hybrid nanomembranes for selective molecular ion separation

Design of New Triphenylamine-Sensitized Solar Cells: A Theoretical Approach

Thioindigo Dyes: Highly Accurate Visible Spectra with TD-DFT

Purification and Characterization of Trehalase From Acyrthosiphon pisum, a Target for Pest Control

Investigation of the photoinduced electron injection processes for p-type triphenylamine-sensitized solar cells

Revealing Intrinsic Disorder and Aggregation Properties of the DPF3a Zinc Finger Protein

Structural and functional characterization of Solanum tuberosum VDAC36

Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties

Comparison of Microhydration Methods: Protonated Glycine as a Working Example

First hyperpolarizability of polymethineimine with long-range corrected functionals

Assessment of long-range corrected functionals performance for n-->pi transitions in organic dyes

Peptide-surfactant interactions: A combined spectroscopic and molecular dynamics simulation approach

Confinement of a β-barrel protein in nanoperforated free-standing nanomembranes for ion transport

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

Suchergebnisse filtern