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A combination of experimental and computational methods to study the reactions during a Lignin-First approach

Pure and applied chemistry, 2020-04, Vol.92 (4), p.631-639

2020

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First-Principle study of lithium polysulfide adsorption on heteroatom doped graphitic carbon nitride for Lithium-Sulfur batteries

Applied surface science, 2021-11, Vol.565, p.150378, Article 150378

2021

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Theoretical insights into poly(ethylene terephthalate) glycolysis catalyzed by acid-base pairs in Zn-supported MOF-808 metal-organic framework

Chemical physics letters, 2024-02, Vol.836, p.141034, Article 141034

2024

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Density functional study of the effect of cation exchanged Sn-Beta zeolite for the diels-alder reaction between furan and methyl acrylate

Chemical physics letters, 2020-09, Vol.754, p.137743, Article 137743

2020

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Insights into Carbon Dioxide Capture over Glycine‐Functionalized Metal–Organic Framework‐808 from DFT Calculations

ChemNanoMat : chemistry of nanomaterials for energy, biology and more, 2024-07, Vol.10 (7), p.n/a

2024

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Computational study of the conversion of methane and carbon dioxide to acetic acid over NU-1000 metal–organic framework-supported single-atom metal catalysts

Molecular catalysis, 2023-01, Vol.535, p.112855, Article 112855

2023

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Lignin Intermediates on Palladium: Insights into Keto‐Enol Tautomerization from Theoretical Modelling

ChemSusChem, 2020-12, Vol.13 (24), p.6574-6581

2020

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ReaxFF Simulations of Lignin Fragmentation on a Palladium-Based Heterogeneous Catalyst in Methanol–Water Solution

The journal of physical chemistry letters, 2018-09, Vol.9 (18), p.5233-5239

2018

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H3PO2‑Catalyzed Intramolecular Stereospecific Substitution of the Hydroxyl Group in Enantioenriched Secondary Alcohols by N‑, O‑, and S‑Centered Nucleophiles to Generate Heterocycles

ACS catalysis, 2020-01, Vol.10 (2), p.1344-1352

2020

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H 3 PO 2 -Catalyzed Intramolecular Stereospecific Substitution of the Hydroxyl Group in Enantioenriched Secondary Alcohols by N-, O-, and S-Centered Nucleophiles to Generate Heterocycles

ACS catalysis, 2020-01, Vol.10 (2), p.1344-1352

2020

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Brønsted Acid-Catalyzed Intramolecular Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

Journal of the American Chemical Society, 2015-04, Vol.137 (14), p.4646-4649

2015

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Detecting Important Intermediates in Pd Catalyzed Depolymerization of a Lignin Model Compound by a Combination of DFT Calculations and Constrained Minima Hopping

Journal of physical chemistry. C, 2016-10, Vol.120 (41), p.23469-23479

2016

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Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

Synlett, 2016-01, Vol.27 (2), p.173-176

2016

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Warburg Effect and Type II Glucose Transporter Inhibitors as a Potential Targeted Therapy for Liver Cancer: A Review

Trends in sciences, 2024-06, Vol.21 (8), p.8309

2024

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ChemInform Abstract: Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

ChemInform, 2016-06, Vol.47 (25), p.no-no

2016

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ChemInform Abstract: Broensted Acid-Catalyzed Intramolecular Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

ChemInform, 2015-09, Vol.46 (38), p.no-no

2015

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A combination of experimental and computational methods to study the reactions during a Lignin-First approach

First-Principle study of lithium polysulfide adsorption on heteroatom doped graphitic carbon nitride for Lithium-Sulfur batteries

Theoretical insights into poly(ethylene terephthalate) glycolysis catalyzed by acid-base pairs in Zn-supported MOF-808 metal-organic framework

Density functional study of the effect of cation exchanged Sn-Beta zeolite for the diels-alder reaction between furan and methyl acrylate

Insights into Carbon Dioxide Capture over Glycine‐Functionalized Metal–Organic Framework‐808 from DFT Calculations

Computational study of the conversion of methane and carbon dioxide to acetic acid over NU-1000 metal–organic framework-supported single-atom metal catalysts

Lignin Intermediates on Palladium: Insights into Keto‐Enol Tautomerization from Theoretical Modelling

ReaxFF Simulations of Lignin Fragmentation on a Palladium-Based Heterogeneous Catalyst in Methanol–Water Solution

H3PO2‑Catalyzed Intramolecular Stereospecific Substitution of the Hydroxyl Group in Enantioenriched Secondary Alcohols by N‑, O‑, and S‑Centered Nucleophiles to Generate Heterocycles

H 3 PO 2 -Catalyzed Intramolecular Stereospecific Substitution of the Hydroxyl Group in Enantioenriched Secondary Alcohols by N-, O-, and S-Centered Nucleophiles to Generate Heterocycles

Brønsted Acid-Catalyzed Intramolecular Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

Detecting Important Intermediates in Pd Catalyzed Depolymerization of a Lignin Model Compound by a Combination of DFT Calculations and Constrained Minima Hopping

Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

Warburg Effect and Type II Glucose Transporter Inhibitors as a Potential Targeted Therapy for Liver Cancer: A Review

ChemInform Abstract: Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

ChemInform Abstract: Broensted Acid-Catalyzed Intramolecular Nucleophilic Substitution of the Hydroxyl Group in Stereogenic Alcohols with Chirality Transfer

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