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...

Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules

Journal of chemical theory and computation, 2013-10, Vol.9 (10), p.4526-4541

Filatov, Michael

2013

Volltextzugriff (PDF)

Exosomes are natural carriers of exogenous siRNA to human cells in vitro

Cell communication and signaling, 2013-11, Vol.11 (1), p.88-88, Article 88

2013

Volltextzugriff (PDF)

A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

The journal of physical chemistry letters, 2022-08, Vol.13 (30), p.7072-7080

2022

Volltextzugriff (PDF)

Prototropically Controlled Dynamics of Cytosine Photodecay

The journal of physical chemistry letters, 2023-01, Vol.14 (3), p.791-797

2023

Volltextzugriff (PDF)

Towards the engineering of a photon-only two-stroke rotary molecular motor

Nature communications, 2022-10, Vol.13 (1), p.6433-6433, Article 6433

2022

Volltextzugriff (PDF)

Designing Conical Intersections for Light-Driven Single Molecule Rotary Motors: From Precessional to Axial Motion

Journal of organic chemistry, 2014-04, Vol.79 (8), p.3587-3600

2014

Volltextzugriff (PDF)

On the calculation of Mössbauer isomer shift

The Journal of chemical physics, 2007-08, Vol.127 (8), p.084101-084101-8

Filatov, Michael

2007

Volltextzugriff (PDF)

Relief of excited-state antiaromaticity enables the smallest red emitter

Nature communications, 2021-09, Vol.12 (1), p.5409-5409, Article 5409

2021

Volltextzugriff (PDF)

Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin–Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin–Flip TD-DFT

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (30), p.6455-6462

2019

Volltextzugriff (PDF)

Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor

Nature communications, 2022-12, Vol.13 (1), p.7541-7541, Article 7541

2022

Volltextzugriff (PDF)

Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism

The Journal of chemical physics, 2017-07, Vol.147 (3), p.034113-034113

2017

Volltextzugriff (PDF)

Unraveling the effect of aromaticity for the dynamics of excited states of single benzene fluorophores

Journal of computational chemistry, 2024-05, Vol.45 (13), p.1033-1045

2024

Volltextzugriff (PDF)

Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.26776-26786

2020

Volltextzugriff (PDF)

Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine

The journal of physical chemistry letters, 2021-05, Vol.12 (18), p.4339-4346

2021

Volltextzugriff (PDF)

Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method

Molecular physics, 2019-06, Vol.117 (9-12), p.1128-1141

2019

Volltextzugriff (PDF)

On multiferroicity of TTF-CA molecular crystal

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (1), p.144-148

Filatov, Michael

2011

Volltextzugriff (PDF)

Lectin-induced agglutination method of urinary exosomes isolation followed by mi-RNA analysis: Application for prostate cancer diagnostic

The Prostate, 2016-01, Vol.76 (1), p.68-79

2016

Volltextzugriff (PDF)

Antiferromagnetic interactions in the quarter-filled organic conductor (EDO-TTF)2PF6

Physical chemistry chemical physics : PCCP, 2011-07, Vol.13 (26), p.12328-12334

FILATOV, Michael

2011

Volltextzugriff (PDF)

Analytical energy gradient for the two-component normalized elimination of the small component method

The Journal of chemical physics, 2015-06, Vol.142 (21), p.214106-214106

2015

Volltextzugriff (PDF)

NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination

Chemical Society reviews, 2010-01, Vol.39 (2), p.578-590

2010

Volltextzugriff (PDF)

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach

Journal of chemical theory and computation, 2019-05, Vol.15 (5), p.3021-3032

2019

Volltextzugriff (PDF)

Spin-restricted ensemble-referenced Kohn-Sham method: basic principles and application to strongly correlated ground and excited states of molecules

Wiley interdisciplinary reviews. Computational molecular science, 2015-01, Vol.5 (1), p.146-167

Filatov, Michael

2015

Volltextzugriff (PDF)

Development and application of the analytical energy gradient for the normalized elimination of the small component method

The Journal of chemical physics, 2011-06, Vol.134 (24), p.244117-244117-11

2011

Volltextzugriff (PDF)

The rare nonsense mutation in p53 triggers alternative splicing to produce a protein capable of inducing apoptosis

PloS one, 2017-09, Vol.12 (9), p.e0185126-e0185126

2017

Volltextzugriff (PDF)

Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method

International journal of molecular sciences, 2021-04, Vol.22 (8), p.4276

2021

Volltextzugriff (PDF)

1 – 25 von 295

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(259)
Mit Volltextzugriff
(282)

Publikationsform

Sprache

Englisch
(287)
Deutsch
(4)
Russisch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(202)
Chemistry
(174)
Physical Sciences
(169)
Chemistry, Physical
(127)
Physics
(118)
Physics, Atomic, Molecular & Chemical
(109)
Life Sciences & Biomedicine
(28)
Technology
(28)
Chemistry, Multidisciplinary
(27)
Physical Chemistry
(27)
Density Functional Theory
(26)
Exact Sciences And Technology
(21)
Materials Science
(18)
Science & Technology - Other Topics
(17)
Quantum & Theoretical Chemistry
(15)
Spectrum Analysis, Spectrochemistry, Mass Spectrometry
(15)
Mathematical Analysis
(14)
Molecular Dynamics
(14)
Quantum Chemistry
(14)
Spectroscopy
(14)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules

Exosomes are natural carriers of exogenous siRNA to human cells in vitro

A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

Prototropically Controlled Dynamics of Cytosine Photodecay

Towards the engineering of a photon-only two-stroke rotary molecular motor

Designing Conical Intersections for Light-Driven Single Molecule Rotary Motors: From Precessional to Axial Motion

On the calculation of Mössbauer isomer shift

Relief of excited-state antiaromaticity enables the smallest red emitter

Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin–Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin–Flip TD-DFT

Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor

Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism

Unraveling the effect of aromaticity for the dynamics of excited states of single benzene fluorophores

Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants

Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine

Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method

On multiferroicity of TTF-CA molecular crystal

Lectin-induced agglutination method of urinary exosomes isolation followed by mi-RNA analysis: Application for prostate cancer diagnostic

Antiferromagnetic interactions in the quarter-filled organic conductor (EDO-TTF)2PF6

Analytical energy gradient for the two-component normalized elimination of the small component method

NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach

Spin-restricted ensemble-referenced Kohn-Sham method: basic principles and application to strongly correlated ground and excited states of molecules

Development and application of the analytical energy gradient for the normalized elimination of the small component method

The rare nonsense mutation in p53 triggers alternative splicing to produce a protein capable of inducing apoptosis

Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method

Suchergebnisse filtern