Molecular adsorption bond lengths at metal oxide surfaces: failure of current theoretical methods

Does F4TCNQ Adsorption on Cu(111) Form a 2D-MOF?

The journal of physical chemistry. C, Nanomaterials and interfaces·2023

Donor-Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali-Organic Networks on Ag(100).

The journal of physical chemistry. C, Nanomaterials and interfaces·2023

New insight on the role of localisation in the electronic structure of the Si(111)(7 × 7) surfaces.

Scientific reports·2021

Validation of the inverted adsorption structure for free-base tetraphenyl porphyrin on Cu(111).

Chemical communications (Cambridge, England)·2020

The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both?

The journal of physical chemistry. C, Nanomaterials and interfaces·2019

Re-evaluating how charge transfer modifies the conformation of adsorbed molecules.

Nanoscale·2018

Erratum: Two-Loop Four-Graviton Scattering Amplitudes [Phys. Rev. Lett. 124, 211601 (2020)].

Physical review letters·2026

First Evidence of the Decay B^{+}→π^{+}e^{+}e^{-}.

Physical review letters·2026

Implications of GW241011 for Rotating Exotic Compact Objects.

Physical review letters·2026

Exact Dynamical Structure Factor of One-Dimensional Hard Rods and Its Universal Random Matrix Behavior.

Physical review letters·2026

Approaching the Ultimate Limit of Quantum Multiparameter Estimation by Many-Body Physics.

Physical review letters·2026

No Cosmological Constraints on Dark Photon Dark Matter from Resonant Conversion: Impact of Nonlinear Plasma Dynamics.

Physical review letters·2026

Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis.

The Journal of chemical physics·2026

Local hybrid exchange-correlation with contracted plane wave basis functions.

The Journal of chemical physics·2026

Classification of Protein Disulfide Bonds.

Methods in molecular biology (Clifton, N.J.)·2026

Soret Band Splitting as an Optical Fingerprint of Qubit Architecture in Spin-Active Porphyrin Dimers.

The journal of physical chemistry letters·2026

Accelerating KSpot Charge Evaluation in Nucleic Acids via ABEEM Polarizable Force Field.

The journal of physical chemistry. A·2026

Accurate Solvation Properties in Supercritical CO2 with Molecular Density Functional Theory.

The journal of physical chemistry. B·2026

Related Experiment Videos

Molecular adsorption bond lengths at metal oxide surfaces: failure of current theoretical methods

Related Concept Videos

Does F4TCNQ Adsorption on Cu(111) Form a 2D-MOF?

Donor-Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali-Organic Networks on Ag(100).

New insight on the role of localisation in the electronic structure of the Si(111)(7 × 7) surfaces.

Validation of the inverted adsorption structure for free-base tetraphenyl porphyrin on Cu(111).

The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both?

Re-evaluating how charge transfer modifies the conformation of adsorbed molecules.

Erratum: Two-Loop Four-Graviton Scattering Amplitudes [Phys. Rev. Lett. 124, 211601 (2020)].

First Evidence of the Decay B^{+}→π^{+}e^{+}e^{-}.

Implications of GW241011 for Rotating Exotic Compact Objects.

Exact Dynamical Structure Factor of One-Dimensional Hard Rods and Its Universal Random Matrix Behavior.

Approaching the Ultimate Limit of Quantum Multiparameter Estimation by Many-Body Physics.

No Cosmological Constraints on Dark Photon Dark Matter from Resonant Conversion: Impact of Nonlinear Plasma Dynamics.

Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis.

Local hybrid exchange-correlation with contracted plane wave basis functions.

Classification of Protein Disulfide Bonds.

Soret Band Splitting as an Optical Fingerprint of Qubit Architecture in Spin-Active Porphyrin Dimers.

Accelerating KSpot Charge Evaluation in Nucleic Acids via ABEEM Polarizable Force Field.

Accurate Solvation Properties in Supercritical CO2 with Molecular Density Functional Theory.

Related Experiment Videos

Molecular adsorption bond lengths at metal oxide surfaces: failure of current theoretical methods

Abstract:

Related Concept Videos

Related Articles