UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 4.636

Sortiert nach

The Chronus Quantum software package

Wiley interdisciplinary reviews. Computational molecular science, 2020-03, Vol.10 (2), p.e1436-n/a

2020

Link zum Volltext

Verfügbarkeit prüfen

Approximate Green’s Function Coupled Cluster Method Employing Effective Dimension Reduction

Journal of chemical theory and computation, 2019-05, Vol.15 (5), p.3185-3196

2019

Link zum Volltext

Verfügbarkeit prüfen

Accurate Assignments of Excited-State Resonance Raman Spectra: A Benchmark Study Combining Experiment and Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-10, Vol.121 (41), p.7937-7946

2017

Link zum Volltext

Verfügbarkeit prüfen

Efficient Implementation of Variation after Projection Generalized Hartree–Fock

Journal of chemical theory and computation, 2018-02, Vol.14 (2), p.588-596

2018

Link zum Volltext

Verfügbarkeit prüfen

Solving Coupled Cluster Equations by the Newton Krylov Method

Frontiers in chemistry, 2020-12, Vol.8, p.590184-590184

2020

Link zum Volltext

Verfügbarkeit prüfen

Protein Interactions Targeting the Latency-Associated Nuclear Antigen of Kaposi's Sarcoma-Associated Herpesvirus to Cell Chromosomes

Journal of Virology, 2002-11, Vol.76 (22), p.11596-11604

2002

Link zum Volltext

Verfügbarkeit prüfen

An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables

The European physical journal. B, Condensed matter physics, 2018-07, Vol.91 (7), p.1-14, Article 169

2018

Link zum Volltext

Verfügbarkeit prüfen

Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics

Journal of chemical theory and computation, 2023-06, Vol.19 (11), p.3313-3323

2023

Link zum Volltext

Verfügbarkeit prüfen

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters

Frontiers in chemistry, 2020-12, Vol.8, p.581058-581058

2020

Link zum Volltext

Verfügbarkeit prüfen

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster

Journal of chemical theory and computation, 2019-12, Vol.15 (12), p.6617-6624

2019

Link zum Volltext

Verfügbarkeit prüfen

Generalized Hartree–Fock with Nonperturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions

Journal of chemical theory and computation, 2019-01, Vol.15 (1), p.348-356

2019

Link zum Volltext

Verfügbarkeit prüfen

Influence of Electronic Correlations on Electron–Phonon Interactions of Molecular Systems with the GW and Coupled Cluster Methods

Journal of chemical theory and computation, 2024-07

2024

Link zum Volltext

Verfügbarkeit prüfen

Direct ab Initio (Meta-)Surface-Hopping Dynamics

Journal of chemical theory and computation, 2016-03, Vol.12 (3), p.935-945

2016

Link zum Volltext

Verfügbarkeit prüfen

Ab Initio Transient Vibrational Spectral Analysis

The journal of physical chemistry letters, 2016-11, Vol.7 (22), p.4501-4508

2016

Link zum Volltext

Verfügbarkeit prüfen

Using Diffusion Maps to Analyze Reaction Dynamics for a Hydrogen Combustion Benchmark Dataset

Journal of chemical theory and computation, 2023-09, Vol.19 (17), p.5872-5885

2023

Link zum Volltext

Verfügbarkeit prüfen

Ab Initio Excited-State Transient Raman Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (20), p.3958-3965

2017

Link zum Volltext

Verfügbarkeit prüfen

A parallel, distributed memory implementation of the adaptive sampling configuration interaction method

The Journal of chemical physics, 2023-06, Vol.158 (21)

2023

Link zum Volltext

Verfügbarkeit prüfen

A Novel Corepressor, BCoR-L1, Represses Transcription through an Interaction with CtBP

The Journal of biological chemistry, 2007-05, Vol.282 (20), p.15248-15257

2007

Link zum Volltext

Verfügbarkeit prüfen

Embedding non-collinear two-component electronic structure in a collinear quantum environment

The Journal of chemical physics, 2019-05, Vol.150 (17), p.174114-174114

2019

Link zum Volltext

Verfügbarkeit prüfen

CIR, a Corepressor Linking the DNA Binding Factor CBF1 to the Histone Deacetylase Complex

Proceedings of the National Academy of Sciences - PNAS, 1999-01, Vol.96 (1), p.23-28

1999

Link zum Volltext

Verfügbarkeit prüfen

Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory

The Journal of chemical physics, 2023-06, Vol.158 (23)

2023

Link zum Volltext

Verfügbarkeit prüfen

Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory

Journal of chemical theory and computation, 2023-12, Vol.19 (24), p.9177-9186

2023

Link zum Volltext

Verfügbarkeit prüfen

A Well-Tempered Hybrid Method for Solving Challenging Time-Dependent Density Functional Theory (TDDFT) Systems

Journal of chemical theory and computation, 2018-04, Vol.14 (4), p.2034-2041

2018

Link zum Volltext

Verfügbarkeit prüfen

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2789-2803

2017

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 4.636

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(4.171)
Mit Volltextzugriff
(4.090)

Publikationsform

4 weitere anzeigen...

Weniger anzeigen...

Sprache

3 weitere anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

Science & Technology
(3.235)
Life Sciences & Biomedicine
(2.420)
Humans
(1.923)
Female
(1.140)
Male
(1.114)
Biological And Medical Sciences
(797)
Middle Aged
(685)
Adult
(683)
Animals
(656)
Medical Sciences
(617)
Physical Sciences
(508)
Aged
(494)
Technology
(314)
Mice
(260)
Risk Factors
(260)
Adolescent
(239)
Science & Technology - Other Topics
(234)
General & Internal Medicine
(232)
Fundamental And Applied Biological Sciences. Psychology
(228)
Neurosciences & Neurology
(227)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

The New England Journal Of Medicine
(68)
Nature
(61)
Intellectual Property & Technology Law Journal
(55)
The Astrophysical Journal
(48)
Plos One
(46)
Proceedings Of The National Academy Of Sciences - Pnas
(43)
Blood
(40)
Science
(40)
Nature Genetics
(39)
The Journal Of Biological Chemistry
(39)

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

The Chronus Quantum software package

Approximate Green’s Function Coupled Cluster Method Employing Effective Dimension Reduction

Accurate Assignments of Excited-State Resonance Raman Spectra: A Benchmark Study Combining Experiment and Theory

Efficient Implementation of Variation after Projection Generalized Hartree–Fock

Solving Coupled Cluster Equations by the Newton Krylov Method

Protein Interactions Targeting the Latency-Associated Nuclear Antigen of Kaposi's Sarcoma-Associated Herpesvirus to Cell Chromosomes

An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables

Computing the Many-Body Green’s Function with Adaptive Variational Quantum Dynamics

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster

Generalized Hartree–Fock with Nonperturbative Treatment of Strong Magnetic Fields: Application to Molecular Spin Phase Transitions

Influence of Electronic Correlations on Electron–Phonon Interactions of Molecular Systems with the GW and Coupled Cluster Methods

Direct ab Initio (Meta-)Surface-Hopping Dynamics

Ab Initio Transient Vibrational Spectral Analysis

Using Diffusion Maps to Analyze Reaction Dynamics for a Hydrogen Combustion Benchmark Dataset

Ab Initio Excited-State Transient Raman Analysis

A parallel, distributed memory implementation of the adaptive sampling configuration interaction method

A Novel Corepressor, BCoR-L1, Represses Transcription through an Interaction with CtBP

Embedding non-collinear two-component electronic structure in a collinear quantum environment

CIR, a Corepressor Linking the DNA Binding Factor CBF1 to the Histone Deacetylase Complex

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape

Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory

Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory

A Well-Tempered Hybrid Method for Solving Challenging Time-Dependent Density Functional Theory (TDDFT) Systems

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route

Suchergebnisse filtern