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Quantitation of Nine Lactones in Dairy Cream by Stable Isotope Dilution Assays Based on Novel Syntheses of Carbon-13-Labeled γ‑Lactones and Deuterium-Labeled δ‑Lactones in Combination with Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry

Journal of agricultural and food chemistry, 2017-12, Vol.65 (48), p.10534-10541

2017

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Charge‐Carrier Trapping and Radiative Recombination in Metal Halide Perovskite Semiconductors

Advanced functional materials, 2020-10, Vol.30 (42), p.n/a

2020

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Machine Learning Meets Quantum Physics

1st ed. 2020., 2020

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SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects

Nature communications, 2021-12, Vol.12 (1), p.7273-7273, Article 7273

2021

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An Assessment of Three Different In Situ Oxygen Sensors for Monitoring Silage Production and Storage

Sensors (Basel, Switzerland), 2016-01, Vol.16 (1), p.91

2016

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Cationic cobaltammines as anion receptors: Sonochemical synthesis, characterization and comparative account of antibacterial activity of nano and non-nano pentaammineazidocoablt(III) compounds

Polyhedron, 2021-09, Vol.206, p.115338, Article 115338

2021

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Rational design of a room temperature molecular spin switch. The light-driven coordination induced spin state switch (LD-CISSS) approach

Dalton transactions : an international journal of inorganic chemistry, 2014-12, Vol.43 (46), p.17395-17405

2014

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Novel manufacturing techniques for microstructured reactors in industrial dimensions

Green processing and synthesis, 2013-10, Vol.2 (5), p.451-463

2013

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Bare Metal Stents on Resveratrol-Coated Balloons in Porcine Coronary and Peripheral Arteries

International journal of molecular sciences, 2021-12, Vol.22 (23), p.13099

2021

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Assembly of Surface-Mounted Devices on Flexible Substrates by Isotropic Conductive Adhesive and Solder and Lifetime Characterization

Micromachines (Basel), 2022-08, Vol.13 (8), p.1240

2022

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Spin State Switching in Solution with an Azoimidazole-Functionalized Nickel(II)-Porphyrin

European journal of organic chemistry, 2016-08, Vol.2016 (22), p.3817-3823

2016

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Tuning doping and surface functionalization of columnar oxide films for volatile organic compound sensing: experiments and theory

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (46), p.23669-23682

2018

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Nanoscaled Sn and Pb Particles Aligned in Al2O3 Tubes Obtained from Molecular Precursors

European Journal of Inorganic Chemistry, 2005-09, Vol.2005 (18), p.3699-3710

2005

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Injectable Microbubbles as Contrast Agents for Diagnostic Ultrasound Imaging: The Key Role of Perfluorochemicals

Angewandte Chemie (International ed.), 2003-07, Vol.42 (28), p.3218-3235

2003

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Oxidative Passivation of Metal Halide Perovskites

Joule, 2019-11, Vol.3 (11), p.2716-2731

2019

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Message-passing neural networks for high-throughput polymer screening

The Journal of chemical physics, 2019-06, Vol.150 (23), p.234111-234111

2019

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Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Advanced science, 2019-05, Vol.6 (9), p.1801367-n/a

2019

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Atomistic structure search using local surrogate model

The Journal of chemical physics, 2022-11, Vol.157 (17), p.174115-174115

2022

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OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

The Journal of chemical physics, 2021-11, Vol.155 (20), p.204103-204103

2021

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Active sampling for neural network potentials: Accelerated simulations of shear-induced deformation in Cu–Ni multilayers

The Journal of chemical physics, 2023-03, Vol.158 (11), p.114103-114103

2023

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Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties

Accounts of chemical research, 2021-02, Vol.54 (4), p.827-836

2021

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Machine learning-based screening of complex molecules for polymer solar cells

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241735-241735

2018

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Atomistic global optimization X: A Python package for optimization of atomistic structures

The Journal of chemical physics, 2022-08, Vol.157 (5), p.054701-054701

2022

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Cascading symmetry constraint during machine learning-enabled structural search for sulfur-induced Cu(111)-(43×43) surface reconstruction

The Journal of chemical physics, 2024-05, Vol.160 (17)

2024

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Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3

Energy & environmental science, 2017-12, Vol.10 (12), p.2579-2593

2017

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Quantitation of Nine Lactones in Dairy Cream by Stable Isotope Dilution Assays Based on Novel Syntheses of Carbon-13-Labeled γ‑Lactones and Deuterium-Labeled δ‑Lactones in Combination with Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry

Charge‐Carrier Trapping and Radiative Recombination in Metal Halide Perovskite Semiconductors

Machine Learning Meets Quantum Physics

SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects

An Assessment of Three Different In Situ Oxygen Sensors for Monitoring Silage Production and Storage

Cationic cobaltammines as anion receptors: Sonochemical synthesis, characterization and comparative account of antibacterial activity of nano and non-nano pentaammineazidocoablt(III) compounds

Rational design of a room temperature molecular spin switch. The light-driven coordination induced spin state switch (LD-CISSS) approach

Novel manufacturing techniques for microstructured reactors in industrial dimensions

Bare Metal Stents on Resveratrol-Coated Balloons in Porcine Coronary and Peripheral Arteries

Assembly of Surface-Mounted Devices on Flexible Substrates by Isotropic Conductive Adhesive and Solder and Lifetime Characterization

Spin State Switching in Solution with an Azoimidazole-Functionalized Nickel(II)-Porphyrin

Tuning doping and surface functionalization of columnar oxide films for volatile organic compound sensing: experiments and theory

Nanoscaled Sn and Pb Particles Aligned in Al2O3 Tubes Obtained from Molecular Precursors

Injectable Microbubbles as Contrast Agents for Diagnostic Ultrasound Imaging: The Key Role of Perfluorochemicals

Oxidative Passivation of Metal Halide Perovskites

Message-passing neural networks for high-throughput polymer screening

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Atomistic structure search using local surrogate model

OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

Active sampling for neural network potentials: Accelerated simulations of shear-induced deformation in Cu–Ni multilayers

Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties

Machine learning-based screening of complex molecules for polymer solar cells

Atomistic global optimization X: A Python package for optimization of atomistic structures

Cascading symmetry constraint during machine learning-enabled structural search for sulfur-induced Cu(111)-(43×43) surface reconstruction

Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3

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