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Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

Nature communications, 2020-05, Vol.11 (1), p.2328-2328, Article 2328

2020

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Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research

ACS catalysis, 2018-02, Vol.8 (2), p.770-784

2018

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Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism

Proceedings of the National Academy of Sciences - PNAS, 2014-01, Vol.111 (1), p.149-154

2014

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Prediction of Hydroxymethylfurfural Yield in Glucose Conversion through Investigation of Lewis Acid and Organic Solvent Effects

ACS catalysis, 2020-12, Vol.10 (24), p.14707-14721

2020

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Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins

The journal of physical chemistry letters, 2011-11, Vol.2 (22), p.2846-2852

2011

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Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C70-Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium

Journal of the American Chemical Society, 2017-03, Vol.139 (12), p.4286-4289

2017

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A Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization in Acidic Environments

ACS sustainable chemistry & engineering, 2014-03, Vol.2 (3), p.472-485

2014

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Improving biomass pyrolysis economics by integrating vapor and liquid phase upgrading

Green chemistry : an international journal and green chemistry resource : GC, 2018, Vol.2 (3), p.567-582

2018

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Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules

Scientific data, 2020-07, Vol.7 (1), p.244-244, Article 244

2020

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Crystal Structure and Computational Characterization of the Lytic Polysaccharide Monooxygenase GH61D from the Basidiomycota Fungus Phanerochaete chrysosporium

The Journal of biological chemistry, 2013-05, Vol.288 (18), p.12828-12839

2013

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Patterns of patients with polypharmacy in adult population from Korea

Scientific reports, 2022-10, Vol.12 (1), p.18073-18073, Article 18073

2022

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Bad Seeds Sprout Perilous Dynamics: Stochastic Thermostat Induced Trajectory Synchronization in Biomolecules

Journal of chemical theory and computation, 2009-06, Vol.5 (6), p.1624-1631

2009

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Structural and Electronic Snapshots during the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-ray Photoreduction

The Journal of biological chemistry, 2014-07, Vol.289 (27), p.18782-18792

2014

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Simple and Efficient Enantioselective α‑Deuteration Method of α‑Amino Acids without External Chiral Sources

JACS Au, 2024-06, Vol.4 (6), p.2246-2251

2024

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Performance-advantaged ether diesel bioblendstock production by a priori design

Proceedings of the National Academy of Sciences - PNAS, 2019-12, Vol.116 (52), p.26421-26430

2019

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Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

Nature communications, 2020-06, Vol.11 (1), p.3066-3066, Article 3066

2020

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De-/Re-Whitening Russianness: A Liminal Space of White Privileges Represented in Non-Summit

Television & new media, 2024-03, Vol.25 (3), p.270-286

Kim, Seonah

2024

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Effect of Planarity of Aromatic Rings Appended to o-Carborane on Photophysical Properties: A Series of o-Carboranyl Compounds Based on 2-Phenylpyridine- and 2-(Benzo[b]thiophen-2-yl)pyridine

Molecules (Basel, Switzerland), 2019-01, Vol.24 (1), p.201

2019

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Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors

Scientific reports, 2018-08, Vol.8 (1), p.12826-10, Article 12826

2018

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Photophysical Properties of Spirobifluorene-Based o -Carboranyl Compounds Altered by Structurally Rotating the Carborane Cages

Molecules (Basel, Switzerland), 2019-11, Vol.24 (22), p.4135

2019

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Fuel property evaluation of unique fatty acid methyl esters containing β-hydroxy esters from engineered microorganisms

Fuel communications, 2024-06, Vol.19, p.100120, Article 100120

2024

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Prevalence of referral reasons and clinical symptoms for endodontic referrals

Restorative Dentistry and Endodontics, 2014, 39(3), , pp.210-214

Kim, Seonah

2014

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Theoretical Determination of Size Effects in Zeolite-Catalyzed Alcohol Dehydration

Catalysts, 2019-09, Vol.9 (9), p.700

2019

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Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field

Journal of computational chemistry, 2009-10, Vol.30 (13), p.1973-1985

2009

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ZOOM-in/ZOOM-out Transnational Identities: Crossing the Virtual Borders of Pandemic Teaching Everyday

Communication, culture & critique, 2021-06, Vol.14 (2), p.332-335

2021

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Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research

Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism

Prediction of Hydroxymethylfurfural Yield in Glucose Conversion through Investigation of Lewis Acid and Organic Solvent Effects

Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins

Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C70-Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium

A Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization in Acidic Environments

Improving biomass pyrolysis economics by integrating vapor and liquid phase upgrading

Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules

Crystal Structure and Computational Characterization of the Lytic Polysaccharide Monooxygenase GH61D from the Basidiomycota Fungus Phanerochaete chrysosporium

Patterns of patients with polypharmacy in adult population from Korea

Bad Seeds Sprout Perilous Dynamics: Stochastic Thermostat Induced Trajectory Synchronization in Biomolecules

Structural and Electronic Snapshots during the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-ray Photoreduction

Simple and Efficient Enantioselective α‑Deuteration Method of α‑Amino Acids without External Chiral Sources

Performance-advantaged ether diesel bioblendstock production by a priori design

Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

De-/Re-Whitening Russianness: A Liminal Space of White Privileges Represented in Non-Summit

Effect of Planarity of Aromatic Rings Appended to o-Carborane on Photophysical Properties: A Series of o-Carboranyl Compounds Based on 2-Phenylpyridine- and 2-(Benzo[b]thiophen-2-yl)pyridine

Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors

Photophysical Properties of Spirobifluorene-Based o -Carboranyl Compounds Altered by Structurally Rotating the Carborane Cages

Fuel property evaluation of unique fatty acid methyl esters containing β-hydroxy esters from engineered microorganisms

Prevalence of referral reasons and clinical symptoms for endodontic referrals

Theoretical Determination of Size Effects in Zeolite-Catalyzed Alcohol Dehydration

Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field

ZOOM-in/ZOOM-out Transnational Identities: Crossing the Virtual Borders of Pandemic Teaching Everyday

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