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Gallium-rich Pd–Ga phases as supported liquid metal catalysts

Nature chemistry, 2017-09, Vol.9 (9), p.862-867

2017

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Random-phase approximation correlation methods for molecules and solids

Molecular Physics, 2011-11, Vol.109 (21), p.2473-2500

2011

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Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111)

Journal of physical chemistry. C, 2019-04, Vol.123 (13), p.7654-7664

2019

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Growth and electronic structure of boron-doped graphene

Physical review. B, Condensed matter and materials physics, 2013-04, Vol.87 (15), Article 155437

2013

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Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

Journal of physics. Condensed matter, 2024-05, Vol.36 (17), p.175403

2024

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Surface chemistry of 2,3-dibromosubstituted norbornadiene/quadricyclane as molecular solar thermal energy storage system on Ni(111)

The Journal of chemical physics, 2019-05, Vol.150 (18), p.184706-184706

2019

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Growth and electronic structure of nitrogen-doped graphene on Ni(111)

Physical review. B, Condensed matter and materials physics, 2012-08, Vol.86 (7), Article 075401

2012

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Gold intercalation of boron-doped graphene on Ni(111): XPS and DFT study

Journal of physics. Condensed matter, 2013-11, Vol.25 (44), p.445002-445002

2013

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Herstellung und Instandhaltung elektrischer Licht- und Kraftanlagen: Ein Leitfaden auch für Nicht-Techniker

S. von Gaisberg

2020

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Exact Kohn-Sham scheme based on perturbation theory

Physical review. A, Atomic, molecular, and optical physics, 1994-07, Vol.50 (1), p.196-204

1994

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Exact Kohn-Sham Exchange Potential in Semiconductors

Physical review letters, 1997-09, Vol.79 (11), p.2089-2092

1997

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Exact exchange Kohn-Sham formalism applied to semiconductors

Physical review. B, Condensed matter, 1999-04, Vol.59 (15), p.10031-10043

1999

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Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(1 1 1): reactivity and electronic structure

2d materials, 2017-09, Vol.4 (3), p.35026

2017

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Theoretical Study of Singlet and Triplet Excitation Energies in Oligothiophenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-04, Vol.109 (13), p.3078-3085

2005

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Competition for graphene: graphynes with direction-dependent Dirac cones

Physical review letters, 2012-02, Vol.108 (8), p.086804-086804, Article 086804

2012

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Deformation induced pseudomagnetic fields in complex carbon architectures

Physical review. B, 2019-08, Vol.100 (8), p.1, Article 085135

2019

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Energy differences between Kohn-Sham and Hartree-Fock wave functions yielding the same electron density

Physical review. A, Atomic, molecular, and optical physics, 1995-06, Vol.51 (6), p.4501-4513

1995

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Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

The Journal of chemical physics, 2000-11, Vol.113 (19), p.8478-8489

2000

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Symmetry in density-functional theory

Physical review. A, Atomic, molecular, and optical physics, 1993-04, Vol.47 (4A), p.2783-2799

GÖRLING, A

1993

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Excitation energies of terthiophene and its dioxide derivative: a first-principles study

Chemical physics letters, 2001-05, Vol.339 (5), p.343-350

2001

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Nonradiative Relaxation in Thiophene-S,S-dioxide Derivatives: The Role of the Environment

The journal of physical chemistry. B, 2005-03, Vol.109 (12), p.6004-6011

2005

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Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach

Physical review. A, Atomic, molecular, and optical physics, 1995-12, Vol.52 (6), p.4493-4499

1995

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The effects of oxygenation on the optical properties of dimethyl-dithienothiophenes: comparison between experiments and first-principles calculations

The Journal of chemical physics, 2004-08, Vol.121 (8), p.3784-3791

2004

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Generalized Kohn-Sham schemes and the band-gap problem

Physical review. B, Condensed matter, 1996-02, Vol.53 (7), p.3764-3774

1996

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Optical properties of functionalized thiophenes: a theoretical and experimental study

Synthetic metals, 2003-10, Vol.139 (3), p.897-899

2003

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Gallium-rich Pd–Ga phases as supported liquid metal catalysts

Random-phase approximation correlation methods for molecules and solids

Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111)

Growth and electronic structure of boron-doped graphene

Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

Surface chemistry of 2,3-dibromosubstituted norbornadiene/quadricyclane as molecular solar thermal energy storage system on Ni(111)

Growth and electronic structure of nitrogen-doped graphene on Ni(111)

Gold intercalation of boron-doped graphene on Ni(111): XPS and DFT study

Herstellung und Instandhaltung elektrischer Licht- und Kraftanlagen: Ein Leitfaden auch für Nicht-Techniker

Exact Kohn-Sham scheme based on perturbation theory

Exact Kohn-Sham Exchange Potential in Semiconductors

Exact exchange Kohn-Sham formalism applied to semiconductors

Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(1 1 1): reactivity and electronic structure

Theoretical Study of Singlet and Triplet Excitation Energies in Oligothiophenes

Competition for graphene: graphynes with direction-dependent Dirac cones

Deformation induced pseudomagnetic fields in complex carbon architectures

Energy differences between Kohn-Sham and Hartree-Fock wave functions yielding the same electron density

Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

Symmetry in density-functional theory

Excitation energies of terthiophene and its dioxide derivative: a first-principles study

Nonradiative Relaxation in Thiophene-S,S-dioxide Derivatives: The Role of the Environment

Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach

The effects of oxygenation on the optical properties of dimethyl-dithienothiophenes: comparison between experiments and first-principles calculations

Generalized Kohn-Sham schemes and the band-gap problem

Optical properties of functionalized thiophenes: a theoretical and experimental study

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