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Hybrid functionals applied to extended systems

Journal of physics. Condensed matter, 2008-02, Vol.20 (6), p.064201-064201 (9)

2008

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Screened hybrid density functionals applied to solids

The Journal of chemical physics, 2006-04, Vol.124 (15), p.154709-154709-13

2006

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Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

The Journal of chemical physics, 2009-05, Vol.130 (18), p.184103-184103

2009

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Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces

The Journal of chemical physics, 2004-12, Vol.121 (23), p.11614-11624

2004

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Surface Termination of Fe3O4(111) Films Studied by CO Adsorption Revisited

The journal of physical chemistry. B, 2018-01, Vol.122 (2), p.527-533

2018

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Models for Reactions in Confined Space: Can Surface Science Contribute? A Review and Perspective

Topics in catalysis, 2023-09, Vol.66 (15-16), p.1073-1086

2023

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Density functional theory study of MnO by a hybrid functional approach

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (4), p.045132.1-045132.6, Article 045132

2005

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Surface Termination of Fe 3 O 4 (111) Films Studied by CO Adsorption Revisited

The journal of physical chemistry. B, 2018-01, Vol.122 (2), p.527-533

2018

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The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

The Journal of chemical physics, 2005-06, Vol.122 (23), p.234102-234102

2005

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Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations

Physical review. B, Condensed matter and materials physics, 2007-05, Vol.75 (19), Article 195128

2007

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Accurate band gaps and dielectric properties from one-electron theories (abstract only)

Journal of physics. Condensed matter, 2008-02, Vol.20 (6), p.064203-064203 (1)

2008

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Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory

Physical review. B, Condensed matter and materials physics, 2008-11, Vol.78 (19), Article 195423

2008

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Erratum: “Screened hybrid density functionals applied to solids” [J. Chem. Phys. 124, 154709 (2006)]

The Journal of chemical physics, 2006-12, Vol.125 (24)

2006

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Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism usinga plane wave basis set

The Journal of chemical physics, 2009-05, Vol.130 (18), p.184103-184103-10

2009

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Erratum: "Screened hybrid density functionals applied to solids"[ J. Chem. Phys. 124 , 154709 ( 2006 ) ]

The Journal of chemical physics, 2006-12, Vol.125 (24), p.249901-249901-2

2006

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Screened hybrid density functionals applied to solids

The Journal of chemical physics, 2006 (214)

2006

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Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR study

Journal of computer-aided molecular design, 2003-01, Vol.17 (1), p.1-11

2003

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PROGRAM AND ABSTRACTSTwenty-seventh European Congress on Surgical InfectionVienna, AustriaJune 5–7, 2014

Surgical infections, 2014-06, Vol.15 (3), p.A-1-A-15

2014

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Quantitative Structure−Activity Relationships for the Enantioselectivity of Oxirane Ring-Opening Catalyzed by Epoxide Hydrolases

Journal of Chemical Information and Computer Sciences, 2003-05, Vol.43 (3), p.934-940

2003

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A geometry-based stochastic MIMO model for vehicle-to-vehicle communications

IEEE transactions on wireless communications, 2009-07, Vol.8 (7), p.3646-3657

2009

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CD8+ T-cells infiltrate Alzheimer’s disease brains and regulate neuronal- and synapse-related gene expression in APP-PS1 transgenic mice

Brain, behavior, and immunity, 2020-10, Vol.89, p.67-86

2020

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Path Loss Modeling for Vehicle-to-Vehicle Communications

IEEE transactions on vehicular technology, 2011-01, Vol.60 (1), p.323-328

2011

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Characterization of the visceral and neuronal phenotype of 4L/PS-NA mice modeling Gaucher disease

PloS one, 2020, Vol.15 (1), p.e0227077-e0227077

2020

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Hybrid functionals applied to extended systems

Screened hybrid density functionals applied to solids

Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces

Surface Termination of Fe3O4(111) Films Studied by CO Adsorption Revisited

Models for Reactions in Confined Space: Can Surface Science Contribute? A Review and Perspective

Density functional theory study of MnO by a hybrid functional approach

Surface Termination of Fe 3 O 4 (111) Films Studied by CO Adsorption Revisited

The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations

Accurate band gaps and dielectric properties from one-electron theories (abstract only)

Optical spectra of Si nanocrystallites: Bethe-Salpeter approach versus time-dependent density-functional theory

Erratum: “Screened hybrid density functionals applied to solids” [J. Chem. Phys. 124, 154709 (2006)]

Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism usinga plane wave basis set

Erratum: "Screened hybrid density functionals applied to solids"[ J. Chem. Phys. 124 , 154709 ( 2006 ) ]

Screened hybrid density functionals applied to solids

Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR study

PROGRAM AND ABSTRACTSTwenty-seventh European Congress on Surgical InfectionVienna, AustriaJune 5–7, 2014

Quantitative Structure−Activity Relationships for the Enantioselectivity of Oxirane Ring-Opening Catalyzed by Epoxide Hydrolases

A geometry-based stochastic MIMO model for vehicle-to-vehicle communications

CD8+ T-cells infiltrate Alzheimer’s disease brains and regulate neuronal- and synapse-related gene expression in APP-PS1 transgenic mice

Path Loss Modeling for Vehicle-to-Vehicle Communications

Les sources du funéraire en France à l'époque contemporaine

Characterization of the visceral and neuronal phenotype of 4L/PS-NA mice modeling Gaucher disease

Alzheimer's therapeutics targeting amyloid beta 1-42 oligomers I: Abeta 42 oligomer binding to specific neuronal receptors is displaced by drug candidates that improve cognitive deficits

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