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Extending density functional theory with near chemical accuracy beyond pure water

Nature communications, 2023-02, Vol.14 (1), p.799-799, Article 799

2023

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Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes

Journal of chemical theory and computation, 2018-05, Vol.14 (5), p.2304-2311

2018

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Ion Specificity on Electric Energy Generated by Flowing Water Droplets

Angewandte Chemie International Edition, 2018-02, Vol.57 (8), p.2091-2095

International ed. in English, 2018

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Soft‐wall ion transfer channel accurately predicts sterically hindered ion channel permeability

Bulletin of the Korean Chemical Society, 2022, 43(4), , pp.514-522

2022

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Quantifying Density Errors in DFT

The journal of physical chemistry letters, 2018-11, Vol.9 (22), p.6385-6392

2018

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Improving Results by Improving Densities: Density-Corrected Density Functional Theory

Journal of the American Chemical Society, 2022-04, Vol.144 (15), p.6625-6639

2022

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Direct observation of structural properties and fluorescent trapping sites in macrocyclic porphyrin arrays at the single-molecule level

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (5), p.3871-3877

2016

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Density Functional Analysis: The Theory of Density-Corrected DFT

Journal of chemical theory and computation, 2019-12, Vol.15 (12), p.6636-6646

2019

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Density-Corrected DFT Explained: Questions and Answers

Journal of chemical theory and computation, 2022-02, Vol.18 (2), p.817-827

2022

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Density Sensitivity of Empirical Functionals

The journal of physical chemistry letters, 2021-01, Vol.12 (2), p.800-807

2021

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Halogen and Chalcogen Binding Dominated by Density-Driven Errors

The journal of physical chemistry letters, 2019-01, Vol.10 (2), p.295-301

2019

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Measuring Density-Driven Errors Using Kohn–Sham Inversion

Journal of chemical theory and computation, 2020-08, Vol.16 (8), p.5014-5023

2020

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Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination

The journal of physical chemistry letters, 2023-10, Vol.14 (41), p.9230-9237

2023

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Ion Specificity on Electric Energy Generated by Flowing Water Droplets

Angewandte Chemie, 2018-02, Vol.130 (8), p.2113-2117

2018

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Synthesis of RhH-doped Au-Ag alloy nanoclusters and dopant evolution

Nanoscale, 2024-02, Vol.16 (9), p.4851-4857

2024

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Superatom‐in‐Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence

Angewandte Chemie International Edition, 2023-08, Vol.62 (33), p.e202302591-n/a

International ed. in English, 2023

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Identification of Droplet-Flow-Induced Electric Energy on Electrolyte–Insulator–Semiconductor Structure

Journal of the American Chemical Society, 2017-08, Vol.139 (32), p.10968-10971

2017

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Correction to “Halogen and Chalcogen Binding Dominated by Density-Driven Errors”

The journal of physical chemistry letters, 2020-10, Vol.11 (19), p.8017-8017

2020

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Inside Back Cover: Superatom‐in‐Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence (Angew. Chem. Int. Ed. 33/2023)

Angewandte Chemie International Edition, 2023-08, Vol.62 (33), p.n/a

International ed. in English, 2023

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Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster

Angewandte Chemie International Edition, 2021-10, Vol.60 (41), p.22293-22300

International ed. in English, 2021

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Frontispiece: Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster

Angewandte Chemie International Edition, 2021-10, Vol.60 (41), p.n/a

International ed. in English, 2021

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Seven useful questions in density functional theory

Letters in mathematical physics, 2023-04, Vol.113 (2), Article 42

2023

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DifuzzRTL: Differential Fuzz Testing to Find CPU Bugs

2021 IEEE Symposium on Security and Privacy (SP), 2021, p.1286-1303

2021

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IEEE_Xplore

SpecDoctor: Differential Fuzz Testing to Find Transient Execution Vulnerabilities

Proceedings of the 2022 ACM SIGSAC Conference on Computer and Communications Security, 2022, p.1473-1487

2022

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R2Z2: detecting rendering regressions in web browsers through differential fuzz testing

2022 IEEE/ACM 44th International Conference on Software Engineering (ICSE), 2022, p.1818-1829

2022

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Extending density functional theory with near chemical accuracy beyond pure water

Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes

Ion Specificity on Electric Energy Generated by Flowing Water Droplets

Soft‐wall ion transfer channel accurately predicts sterically hindered ion channel permeability

Quantifying Density Errors in DFT

Improving Results by Improving Densities: Density-Corrected Density Functional Theory

Direct observation of structural properties and fluorescent trapping sites in macrocyclic porphyrin arrays at the single-molecule level

Density Functional Analysis: The Theory of Density-Corrected DFT

Density-Corrected DFT Explained: Questions and Answers

Density Sensitivity of Empirical Functionals

Halogen and Chalcogen Binding Dominated by Density-Driven Errors

Measuring Density-Driven Errors Using Kohn–Sham Inversion

Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination

Ion Specificity on Electric Energy Generated by Flowing Water Droplets

Synthesis of RhH-doped Au-Ag alloy nanoclusters and dopant evolution

Superatom‐in‐Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence

Identification of Droplet-Flow-Induced Electric Energy on Electrolyte–Insulator–Semiconductor Structure

Correction to “Halogen and Chalcogen Binding Dominated by Density-Driven Errors”

Inside Back Cover: Superatom‐in‐Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence (Angew. Chem. Int. Ed. 33/2023)

Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster

Frontispiece: Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster

Seven useful questions in density functional theory

DifuzzRTL: Differential Fuzz Testing to Find CPU Bugs

SpecDoctor: Differential Fuzz Testing to Find Transient Execution Vulnerabilities

R2Z2: detecting rendering regressions in web browsers through differential fuzz testing

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