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...

ABCluster: the artificial bee colony algorithm for cluster global optimization

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (37), p.24173-24181

2015

Volltextzugriff (PDF)

Computational methods in lanthanide and actinide chemistry

Dolg, Michael

First edition., 2015

Volltextzugriff (PDF)

The difficult search for organocerium(iv) compounds

Chemical Society reviews, 2017-11, Vol.46 (22), p.6697-6709

2017

Volltextzugriff (PDF)

Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt

The Journal of chemical physics, 2009-04, Vol.130 (16), p.164108-164108

2009

Volltextzugriff (PDF)

Two interpretations of the cerocene electronic ground state

Chemical physics letters, 2014-02, Vol.594, p.47-50

2014

Volltextzugriff (PDF)

Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd

The Journal of chemical physics, 2007-03, Vol.126 (12), p.124101-124101

2007

Volltextzugriff (PDF)

Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post- d group 16–18 elements

The Journal of chemical physics, 2003-12, Vol.119 (21), p.11113-11123

2003

Volltextzugriff (PDF)

Computational study of lanthanide(III) hydration

Physical chemistry chemical physics : PCCP, 2010-10, Vol.12 (40), p.13215-13223

2010

Volltextzugriff (PDF)

Fully Automated Incremental Evaluation of MP2 and CCSD(T) Energies: Application to Water Clusters

Journal of chemical theory and computation, 2009-02, Vol.5 (2), p.287-294

2009

Volltextzugriff (PDF)

Global optimization of clusters of rigid molecules using the artificial bee colony algorithm

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.3003-3010

2016

Volltextzugriff (PDF)

Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data

Chemical physics, 2005-04, Vol.311 (1), p.227-244

2005

Volltextzugriff (PDF)

Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials

The Journal of chemical physics, 2003-01, Vol.118 (2), p.487-496

2003

Volltextzugriff (PDF)

Valence basis sets for relativistic energy-consistent small-core lanthanide pseudopotentials

The Journal of chemical physics, 2001-10, Vol.115 (16), p.7348-7355

2001

Volltextzugriff (PDF)

The Origin of the Photoluminescence Enhancement of Gold‐Doped Silver Nanoclusters: The Importance of Relativistic Effects and Heteronuclear Gold–Silver Bonds

Angewandte Chemie International Edition, 2018-07, Vol.57 (31), p.9965-9969

International ed. in English, 2018

Volltextzugriff (PDF)

Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds

The Journal of chemical physics, 2007-04, Vol.126 (15), p.154110-154110

2007

Volltextzugriff (PDF)

Third-Order Incremental Dual-Basis Set Zero-Buffer Approach: An Accurate and Efficient Way To Obtain CCSD and CCSD(T) Energies

Journal of chemical theory and computation, 2013-07, Vol.9 (7), p.2992-3003

2013

Volltextzugriff (PDF)

Small-core multiconfiguration-Dirac–Hartree–Fock-adjusted pseudopotentials for post- d main group elements: Application to PbH and PbO

The Journal of chemical physics, 2000-08, Vol.113 (7), p.2563-2569

2000

Volltextzugriff (PDF)

Accuracy of relativistic energy-consistent pseudopotentials for superheavy elements 111-118: molecular calibration calculations

The Journal of chemical physics, 2013-01, Vol.138 (4), p.044104-044104

2013

Volltextzugriff (PDF)

Coupled-cluster and DFT studies of the Copernicium dimer including QED effects

Chemical physics letters, 2014-11, Vol.616-617, p.222-225

2014

Volltextzugriff (PDF)

Implementation and performance of a domain-specific basis set incremental approach for correlation energies:Applications to hydrocarbons and a glycine oligomer

The Journal of chemical physics, 2008-12, Vol.129 (24), p.244105-244105-8

2008

Volltextzugriff (PDF)

Quasirelativistic f-in-core pseudopotentials and core-polarization potentials for trivalent actinides and lanthanides: molecular test for trifluorides

Theoretical chemistry accounts, 2010-06, Vol.126 (3-4), p.117-127

2010

Volltextzugriff (PDF)

Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects

The Journal of chemical physics, 2012-06, Vol.136 (21), p.214105-214105-11

2012

Volltextzugriff (PDF)

Enhancing Actinide(III) over Lanthanide(III) Selectivity through Hard-by-Soft Donor Substitution: Exploitation and Implication of Near-Degeneracy-Driven Covalency

Inorganic chemistry, 2019-08, Vol.58 (15), p.9738-9748

2019

Volltextzugriff (PDF)

A theoretical study of imine hydrocyanation catalyzed by halogen-bonding

Journal of computational chemistry, 2015-09, Vol.36 (24), p.1812-1817

2015

Volltextzugriff (PDF)

Relativistic energy-consistent pseudopotentials for superheavy elements 119 and 120 including quantum electrodynamic effects

The Journal of chemical physics, 2013-05, Vol.138 (17), p.174113-174113

2013

Volltextzugriff (PDF)

1 – 25 von 299

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(231)
Mit Volltextzugriff
(293)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 90 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

ABCluster: the artificial bee colony algorithm for cluster global optimization

Computational methods in lanthanide and actinide chemistry

The difficult search for organocerium(iv) compounds

Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt

Two interpretations of the cerocene electronic ground state

Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd

Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post- d group 16–18 elements

Computational study of lanthanide(III) hydration

Fully Automated Incremental Evaluation of MP2 and CCSD(T) Energies: Application to Water Clusters

Global optimization of clusters of rigid molecules using the artificial bee colony algorithm

Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac–Hartree–Fock data

Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials

Valence basis sets for relativistic energy-consistent small-core lanthanide pseudopotentials

The Origin of the Photoluminescence Enhancement of Gold‐Doped Silver Nanoclusters: The Importance of Relativistic Effects and Heteronuclear Gold–Silver Bonds

Fully automated implementation of the incremental scheme: application to CCSD energies for hydrocarbons and transition metal compounds

Third-Order Incremental Dual-Basis Set Zero-Buffer Approach: An Accurate and Efficient Way To Obtain CCSD and CCSD(T) Energies

Small-core multiconfiguration-Dirac–Hartree–Fock-adjusted pseudopotentials for post- d main group elements: Application to PbH and PbO

Accuracy of relativistic energy-consistent pseudopotentials for superheavy elements 111-118: molecular calibration calculations

Coupled-cluster and DFT studies of the Copernicium dimer including QED effects

Implementation and performance of a domain-specific basis set incremental approach for correlation energies:Applications to hydrocarbons and a glycine oligomer

Quasirelativistic f-in-core pseudopotentials and core-polarization potentials for trivalent actinides and lanthanides: molecular test for trifluorides

Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects

Enhancing Actinide(III) over Lanthanide(III) Selectivity through Hard-by-Soft Donor Substitution: Exploitation and Implication of Near-Degeneracy-Driven Covalency

A theoretical study of imine hydrocyanation catalyzed by halogen-bonding

Relativistic energy-consistent pseudopotentials for superheavy elements 119 and 120 including quantum electrodynamic effects

Suchergebnisse filtern