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...

The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

The Journal of chemical physics, 2001-07, Vol.115 (2), p.643-651

2001

Volltextzugriff (PDF)

Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (34), p.7534-7544

2021

Volltextzugriff (PDF)

Coupled cluster calculations of ground and excited states of nuclei

Physical review letters, 2004-04, Vol.92 (13), p.132501-132501, Article 132501

2004

Volltextzugriff (PDF)

Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states

Theoretical chemistry accounts, 2004-12, Vol.112 (5-6), p.349-393

2004

Volltextzugriff (PDF)

New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism

The Journal of chemical physics, 2001-08, Vol.115 (7), p.2966-2978

2001

Volltextzugriff (PDF)

Ab-Initio Coupled-Cluster Study of O 16

Physical review letters, 2005-06, Vol.94 (21), Article 212501

2005

Volltextzugriff (PDF)

Extrapolating potential energy surfaces by scaling electron correlation at a single geometry

Chemical physics letters, 2006-10, Vol.430 (4), p.448-453

2006

Volltextzugriff (PDF)

Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian

The Journal of chemical physics, 2005-12, Vol.123 (22), p.224105-224105

2005

Volltextzugriff (PDF)

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (47), p.287-28781

2022

Volltextzugriff (PDF)

Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei

Physical review letters, 2008-08, Vol.101 (5), p.052501-052501, Article 052501

2008

Volltextzugriff (PDF)

New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

The Journal of chemical physics, 2004-01, Vol.120 (4), p.1715-1738

2004

Volltextzugriff (PDF)

Experimental and Theoretical UV Characterizations of Acetylacetone and Its Isomers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (11), p.3920-3926

2006

Volltextzugriff (PDF)

Coupled-cluster and configuration-interaction calculations for heavy nuclei

Physical review letters, 2007-03, Vol.98 (11), p.112501-112501, Article 112501

2007

Volltextzugriff (PDF)

Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

Chemical physics letters, 2006-02, Vol.418 (4), p.467-474

2006

Volltextzugriff (PDF)

The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches

The Journal of chemical physics, 2000-07, Vol.113 (1), p.18-35

2000

Volltextzugriff (PDF)

Coupled-cluster theory for three-body Hamiltonians

Physical review. C, Nuclear physics, 2007-09, Vol.76 (3), Article 034302

2007

Volltextzugriff (PDF)

Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-08, Vol.125 (34)

2021

Volltextzugriff (PDF)

Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

Computer physics communications, 2002-12, Vol.149 (2), p.71-96

2002

Volltextzugriff (PDF)

Extensive generalization of renormalized coupled-cluster methods

The Journal of chemical physics, 2005-02, Vol.122 (7), p.074107-074107

2005

Volltextzugriff (PDF)

Theoretical Models on the Cu2O2 Torture Track: Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-02, Vol.110 (5), p.1991-2004

2006

Volltextzugriff (PDF)

Combined coupled-cluster and many-body perturbation theories

The Journal of chemical physics, 2004-12, Vol.121 (24), p.12197-12207

2004

Volltextzugriff (PDF)

Complete set of solutions of the generalized Bloch equation

International journal of quantum chemistry, 2000, Vol.80 (4-5), p.757-781

2000

Volltextzugriff (PDF)

Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt

The Journal of chemical physics, 2005-10, Vol.123 (13), p.134113-134113

2005

Volltextzugriff (PDF)

A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F 2

Chemical physics letters, 2001-08, Vol.344 (1), p.165-175

2001

Volltextzugriff (PDF)

Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

The Journal of chemical physics, 2005-06, Vol.122 (21), p.214107-214107

2005

Volltextzugriff (PDF)

1 – 25 von 361

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(308)
Mit Volltextzugriff
(314)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Kollektion

Ingenta
(87)
eBooks on EBSCOhost
(78)
Scitation (American Institute of Physics)
(70)
Standalone journals
(64)
Elsevier Journal Backfiles on ScienceDirect (DFG Nationallizenzen)
(56)
Elsevier ScienceDirect Journals Complete
(54)
Ebook Central Perpetual and DDA
(47)
APS: American Physical Society E-Journals (Physics)
(30)
PROLA
(30)
Wiley Online Library
(29)
EZB Electronic Journals Library
(29)
MEDLINE
(27)
Wiley Online Library
(27)
SpringerLink Series
(27)
IngentaConnect Journals
(26)
IEEE Xplore
(26)
Ovid
(21)
Springer journals
(21)
Taylor & Francis Online
(13)
Taylor & Francis
(13)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses

Coupled cluster calculations of ground and excited states of nuclei

Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states

New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism

Ab-Initio Coupled-Cluster Study of O 16

Extrapolating potential energy surfaces by scaling electron correlation at a single geometry

Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei

New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

Experimental and Theoretical UV Characterizations of Acetylacetone and Its Isomers

Coupled-cluster and configuration-interaction calculations for heavy nuclei

Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches

Coupled-cluster theory for three-body Hamiltonians

Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses

Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

Extensive generalization of renormalized coupled-cluster methods

Theoretical Models on the Cu2O2 Torture Track: Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues

Combined coupled-cluster and many-body perturbation theories

Complete set of solutions of the generalized Bloch equation

Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt

A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F 2

Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

Suchergebnisse filtern