UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 197

Sortiert nach

Benchmark results for empirical post-GGA functionals: Difficult exchange problems and independent tests

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (43), p.19325-19337

2011

Link zum Volltext

Verfügbarkeit prüfen

Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics

Proceedings of the National Academy of Sciences - PNAS, 2013-10, Vol.110 (41), p.E3901-E3909

2013

Link zum Volltext

Verfügbarkeit prüfen

The perfect quadruples model for electron correlation in a valence active space

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084101-084101

2009

Link zum Volltext

Verfügbarkeit prüfen

Detection of electron tunneling across plasmonic nanoparticle-film junctions using nitrile vibrations

Physical chemistry chemical physics : PCCP, 2017-02, Vol.19 (8), p.5786-5796

2017

Link zum Volltext

Verfügbarkeit prüfen

On the border between localization and delocalization: tris(iminoxolene)titanium(iv)

Dalton transactions : an international journal of inorganic chemistry, 2019-01, Vol.48 (4), p.1427-1435

2019

Link zum Volltext

Verfügbarkeit prüfen

A tractable and accurate electronic structure method for static correlations: The perfect hextuples model

The Journal of chemical physics, 2010-07, Vol.133 (2), p.024103-024103-10

2010

Link zum Volltext

Verfügbarkeit prüfen

A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: The singles + doubles models

The Journal of chemical physics, 2010-09, Vol.133 (12), p.124102-124102-9

2010

Link zum Volltext

Verfügbarkeit prüfen

Exciton coherence lifetimes from electronic structure

The Journal of chemical physics, 2012-03, Vol.136 (10), p.104510-104510-9

2012

Link zum Volltext

Verfügbarkeit prüfen

A sparse framework for the derivation and implementation of fermion algebra

Molecular physics, 2010-02, Vol.108 (3-4), p.513-522

2010

Link zum Volltext

Verfügbarkeit prüfen

A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximation

The Journal of chemical physics, 2012-12, Vol.137 (22), p.22A547-22A547

2012

Link zum Volltext

Verfügbarkeit prüfen

The formulation and performance of a perturbative correction to the perfect quadruples model

The Journal of chemical physics, 2011-04, Vol.134 (15), p.154112-154112-8

2011

Link zum Volltext

Verfügbarkeit prüfen

Modeling Coherent Anti-Stokes Raman Scattering with Time-Dependent Density Functional Theory: Vacuum and Surface Enhancement

The journal of physical chemistry letters, 2011-08, Vol.2 (15), p.1849-1854

2011

Link zum Volltext

Verfügbarkeit prüfen

Response to Commentary on "Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions"

Frontiers in chemistry, 2013-01, Vol.1, p.33-33

2013

Link zum Volltext

Verfügbarkeit prüfen

Detection of electron tunneling across plasmonic nanoparticle-film junctions using nitrile vibrationsElectronic supplementary information (ESI) available: Fig. S1-S14. See DOI: 10.1039/c6cp08168a

2017-02

Link zum Volltext

Verfügbarkeit prüfen

On the border between localization and delocalization: tris(iminoxolene)titanium(iv)Electronic supplementary information (ESI) available: Symmetry-breaking, energy and Cartesian coordinates for calculated structures of (Clamp)Ti and related complexes. CCDC 1845533. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8dt04528c

2019-01

Link zum Volltext

Verfügbarkeit prüfen

Feynman's clock, a new variational principle, and parallel-in-time quantum dynamics

Proceedings of the National Academy of Sciences - PNAS, 2013-10, Vol.110 (41), p.16299-16299

2013

Link zum Volltext

Verfügbarkeit prüfen

Penalty functions for combining coupled-cluster and perturbation amplitudes in local correlation methods with optimized orbitals

Molecular physics, 2008-10, Vol.106 (19), p.2309-2324

2008

Link zum Volltext

Verfügbarkeit prüfen

The exchange energy of a uniform electron gas experiencing a new, flexible range separation

Chemical physics letters, 2009-08, Vol.478 (4), p.283-286

2009

Link zum Volltext

Verfügbarkeit prüfen

The perfect quadruples model for electron correlationin a valence active space

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084101-084101-9

2009

Link zum Volltext

Verfügbarkeit prüfen

Crypt- and Mucosa-Associated Core Microbiotas in Humans and Their Alteration in Colon Cancer Patients

mBio, 2019-07, Vol.10 (4), p.e01315-19

2019

Link zum Volltext

Verfügbarkeit prüfen

The identification of small molecule inhibitors with anthelmintic activities that target conserved proteins among ruminant gastrointestinal nematodes

mBio, 2024-03, Vol.15 (3), p.e0009524

2024

Link zum Volltext

Verfügbarkeit prüfen

Characterization of Posttranslationally Modified Multidrug Efflux Pumps Reveals an Unexpected Link between Glycosylation and Antimicrobial Resistance

mBio, 2020-11, Vol.11 (6)

2020

Link zum Volltext

Verfügbarkeit prüfen

A Bacillus anthracis Genome Sequence from the Sverdlovsk 1979 Autopsy Specimens

mBio, 2016-09, Vol.7 (5)

2016

Link zum Volltext

Verfügbarkeit prüfen

Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

Journal of chemical theory and computation, 2016-03, Vol.12 (3), p.1139-1147

2016

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 197

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(189)
Mit Volltextzugriff
(177)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(140)
Life Sciences & Biomedicine
(88)
Humans
(65)
Microbiology
(44)
Physical Sciences
(37)
Chemistry
(34)
Phylogeny
(33)
Genomes
(29)
Genome, Bacterial
(26)
Chemistry, Physical
(25)
Animals
(24)
Physics
(24)
Physics, Atomic, Molecular & Chemical
(24)
Genomics
(23)
Science & Technology - Other Topics
(23)
Genetics & Heredity
(21)
Multidisciplinary Sciences
(20)
Biological And Medical Sciences
(19)
Molecular Sequence Data
(19)
Sequence Analysis, Dna
(19)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

Mbio
(13)
The Journal Of Chemical Physics
(12)
Nature Genetics
(9)
Journal Of Bacteriology
(8)
Nature Communications
(8)
Genome Research
(6)
Nature
(6)
Proceedings Of The National Academy Of Sciences - Pnas
(6)
Molecular Physics
(5)
Plos One
(5)

5 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Benchmark results for empirical post-GGA functionals: Difficult exchange problems and independent tests

Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics

The perfect quadruples model for electron correlation in a valence active space

Detection of electron tunneling across plasmonic nanoparticle-film junctions using nitrile vibrations

On the border between localization and delocalization: tris(iminoxolene)titanium(iv)

A tractable and accurate electronic structure method for static correlations: The perfect hextuples model

A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: The singles + doubles models

Exciton coherence lifetimes from electronic structure

A sparse framework for the derivation and implementation of fermion algebra

A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximation

The formulation and performance of a perturbative correction to the perfect quadruples model

Modeling Coherent Anti-Stokes Raman Scattering with Time-Dependent Density Functional Theory: Vacuum and Surface Enhancement

Response to Commentary on "Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions"

Detection of electron tunneling across plasmonic nanoparticle-film junctions using nitrile vibrationsElectronic supplementary information (ESI) available: Fig. S1-S14. See DOI: 10.1039/c6cp08168a

Feynman's clock, a new variational principle, and parallel-in-time quantum dynamics

Penalty functions for combining coupled-cluster and perturbation amplitudes in local correlation methods with optimized orbitals

The exchange energy of a uniform electron gas experiencing a new, flexible range separation

The perfect quadruples model for electron correlationin a valence active space

Crypt- and Mucosa-Associated Core Microbiotas in Humans and Their Alteration in Colon Cancer Patients

The identification of small molecule inhibitors with anthelmintic activities that target conserved proteins among ruminant gastrointestinal nematodes

Characterization of Posttranslationally Modified Multidrug Efflux Pumps Reveals an Unexpected Link between Glycosylation and Antimicrobial Resistance

A Bacillus anthracis Genome Sequence from the Sverdlovsk 1979 Autopsy Specimens

Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

The Effects of Signal Erosion and Core Genome Reduction on the Identification of Diagnostic Markers

Suchergebnisse filtern