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ReSpect: Relativistic spectroscopy DFT program package

The Journal of chemical physics, 2020-05, Vol.152 (18), p.184101-184101

2020

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Winners vs. losers: Schistosoma mansoni intestinal and liver eggs exhibit striking differences in gene expression and immunogenicity

PLoS pathogens, 2024-05, Vol.20 (5), p.e1012268

2024

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Rapid method for screening of both calcium and magnesium chelation with comparison of 21 known metal chelators

Journal of biological inorganic chemistry, 2024-10

2024

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Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation

Journal of chemical theory and computation, 2015-03, Vol.11 (3), p.980-991

2015

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The Effect of 4-Methylcatechol on Platelets in Familial Hypercholesterolemic Patients Treated with Lipid Apheresis and/or Proprotein Convertase Subtilisin Kexin 9 Monoclonal Antibodies

Nutrients, 2023-04, Vol.15 (8), p.1842

2023

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Neurovascular responses to neuronal activity during sensory development

Frontiers in cellular neuroscience, 2022-11, Vol.16, p.1025429-1025429

2022

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Correlations among different platelet aggregation pathways in a group of healthy volunteers

Platelets (Edinburgh), 2024-12, Vol.35 (1), p.2336093-2336093

2024

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The quercetin metabolite 4-methylcatechol causes vasodilation via voltage-gated potassium (K V ) channels

Food & function, 2024-11, Vol.15 (22), p.11047-11059

2024

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Sex-Related Differences in Platelet Aggregation: A Literature Review Supplemented with Local Data from a Group of Generally Healthy Individuals

Seminars in thrombosis and hemostasis, 2023-07, Vol.49 (5), p.488-506

2023

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The Antiplatelet Effect of 4-Methylcatechol in a Real Population Sample and Determination of the Mechanism of Action

Nutrients, 2022-11, Vol.14 (22), p.4798

2022

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Comparison of Antiplatelet Effects of Phenol Derivatives in Humans

Biomolecules (Basel, Switzerland), 2022-01, Vol.12 (1), p.117

2022

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Accurate X‑ray Absorption Spectra near L- and M‑Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory

Inorganic chemistry, 2022-01, Vol.61 (2), p.830-846

2022

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Platelet aggregation in hypercholesterolemia: Effect of approved antiplatelet compounds and 4-methylcatechol

Atherosclerosis, 2024-08, Vol.395, p.117730, Article 117730

2024

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Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X‑ray Absorption Spectra Near L- and M‑Edges of Four-Component Quality at Two-Component Cost

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-02, Vol.127 (5), p.1360-1376

2023

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Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy

The journal of physical chemistry letters, 2023-02, Vol.14 (7), p.1714-1724

2023

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X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrix

Physical chemistry chemical physics : PCCP, 2015-09, Vol.17 (35), p.22566-2257

2015

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Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations

The Journal of chemical physics, 2019-11, Vol.151 (19), p.194112-194112

2019

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Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.5823-5833

2016

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Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies

The Journal of chemical physics, 2018-11, Vol.149 (20), p.204104-204104

2018

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Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

Journal of chemical theory and computation, 2023

2023

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Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

Journal of chemical theory and computation, 2023-11, Vol.19 (21), p.7764-7775

2023

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Proteases and their inhibitors involved in Schistosoma mansoni egg-host interaction revealed by comparative transcriptomics with Fasciola hepatica eggs

International journal for parasitology, 2023-05, Vol.53 (5-6), p.253-263

2023

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The effect of convertase subtilisin/kexin type 9 monoclonal antibodies (PCSK9AB) on platelet aggregation and blood coagulation in familial hypercholesterolemia patients

Atherosclerosis, 2024-08, Vol.395

2024

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Uncovering the essential roles of glutamate carboxypeptidase 2 orthologs in Caenorhabditis elegans

Bioscience reports, 2024-01, Vol.44 (1), p.1

2024

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X-ray absorption resonances near L sub(2,3)-edges from real-time propagation of the Dirac-Kohn-Sham density matrix

Physical chemistry chemical physics : PCCP, 2015-08, Vol.17 (35), p.22566-22570

2015

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ReSpect: Relativistic spectroscopy DFT program package

Winners vs. losers: Schistosoma mansoni intestinal and liver eggs exhibit striking differences in gene expression and immunogenicity

Rapid method for screening of both calcium and magnesium chelation with comparison of 21 known metal chelators

Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation

The Effect of 4-Methylcatechol on Platelets in Familial Hypercholesterolemic Patients Treated with Lipid Apheresis and/or Proprotein Convertase Subtilisin Kexin 9 Monoclonal Antibodies

Neurovascular responses to neuronal activity during sensory development

Correlations among different platelet aggregation pathways in a group of healthy volunteers

The quercetin metabolite 4-methylcatechol causes vasodilation via voltage-gated potassium (K V ) channels

Sex-Related Differences in Platelet Aggregation: A Literature Review Supplemented with Local Data from a Group of Generally Healthy Individuals

The Antiplatelet Effect of 4-Methylcatechol in a Real Population Sample and Determination of the Mechanism of Action

Comparison of Antiplatelet Effects of Phenol Derivatives in Humans

Accurate X‑ray Absorption Spectra near L- and M‑Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory

Platelet aggregation in hypercholesterolemia: Effect of approved antiplatelet compounds and 4-methylcatechol

Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X‑ray Absorption Spectra Near L- and M‑Edges of Four-Component Quality at Two-Component Cost

Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy

X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrix

Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations

Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties

Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies

Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

Proteases and their inhibitors involved in Schistosoma mansoni egg-host interaction revealed by comparative transcriptomics with Fasciola hepatica eggs

The effect of convertase subtilisin/kexin type 9 monoclonal antibodies (PCSK9AB) on platelet aggregation and blood coagulation in familial hypercholesterolemia patients

Uncovering the essential roles of glutamate carboxypeptidase 2 orthologs in Caenorhabditis elegans

X-ray absorption resonances near L sub(2,3)-edges from real-time propagation of the Dirac-Kohn-Sham density matrix

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