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Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

The Journal of chemical physics, 2004-05, Vol.120 (20), p.9665-9678

2004

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Organic Acid-Catalyzed Polyurethane Formation via a Dual-Activated Mechanism: Unexpected Preference of N‑Activation over O‑Activation of Isocyanates

Journal of the American Chemical Society, 2013-10, Vol.135 (43), p.16235-16241

2013

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Mechanisms of Organocatalytic Amidation and Trans-Esterification of Aromatic Esters As a Model for the Depolymerization of Poly(ethylene) Terephthalate

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-12, Vol.116 (51), p.12389-12398

2012

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Formation of bis-benzimidazole and bis-benzoxazole through organocatalytic depolymerization of poly(ethylene terephthalate) and its mechanism

Polymer chemistry, 2020-08, Vol.11 (3), p.494-4913

2020

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Advanced chemical recycling of poly(ethylene terephthalate) through organocatalytic aminolysis

Polymer chemistry, 2013-01, Vol.4 (5), p.1610-1616

2013

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Hydrogen-Bonding Catalysts Based on Fluorinated Alcohol Derivatives for Living Polymerization

Angewandte Chemie (International ed.), 2009-01, Vol.48 (28), p.5170-5173

2009

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The Reaction Mechanism for the Organocatalytic Ring-Opening Polymerization of l-Lactide Using a Guanidine-Based Catalyst: Hydrogen-Bonded or Covalently Bound?

Journal of the American Chemical Society, 2008-05, Vol.130 (21), p.6749-6754

2008

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Dominant Decomposition Pathways for Ethereal Solvents in Li–O2 Batteries

The journal of physical chemistry letters, 2015-05, Vol.6 (10), p.1795-1799

2015

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Acyclic Guanidines as Organic Catalysts for Living Polymerization of Lactide

Macromolecules, 2010-02, Vol.43 (3), p.1660-1664

2010

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Characterization of the TIP4P-Ew water model: vapor pressure and boiling point

The Journal of chemical physics, 2005-11, Vol.123 (19), p.194504-194504

2005

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Catalyst Chelation Effects in Organocatalyzed Ring-Opening Polymerization of Lactide

ACS macro letters, 2012-01, Vol.1 (1), p.19-22

2012

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Computational Investigations on Base-Catalyzed Diaryl Ether Formation

Journal of organic chemistry, 2013-06, Vol.78 (11), p.5436-5443

2013

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A Simple and Facile Approach to Aliphatic N‑Substituted Functional Eight-Membered Cyclic Carbonates and Their Organocatalytic Polymerization

Journal of the American Chemical Society, 2015-11, Vol.137 (43), p.13851-13860

2015

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Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide

Chemical communications (Cambridge, England), 2011-01, Vol.47 (11), p.3105-3107

2011

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Computational and Experimental Studies on the Mechanism of Formation of Poly(hexahydrotriazine)s and Poly(hemiaminal)s from the Reactions of Amines with Formaldehyde

Organic letters, 2014-10, Vol.16 (20), p.5502-5505

2014

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Supramolecular motifs in dynamic covalent PEG-hemiaminal organogels

Nature communications, 2015-07, Vol.6 (1), p.7417-7417, Article 7417

2015

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Organocatalytic depolymerization of poly(ethylene terephthalate)

Journal of polymer science. Part A, Polymer chemistry, 2011-03, Vol.49 (5), p.1273-1281

2011

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Experimental and Computational Studies on the Mechanism of Zwitterionic Ring-Opening Polymerization of δ‑Valerolactone with N‑Heterocyclic Carbenes

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6553-6560

2014

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N‑Heterocyclic Carbene-Catalyzed Ring Opening Polymerization of ε‑Caprolactone with and without Alcohol Initiators: Insights from Theory and Experiment

The journal of physical chemistry. B, 2015-04, Vol.119 (17), p.5728-5737

2015

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Accounting for Polarization Cost When Using Fixed Charge Force Fields. I. Method for Computing Energy

The journal of physical chemistry. B, 2010-07, Vol.114 (26), p.8621-8630

2010

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Polymerizing Base Sensitive Cyclic Carbonates Using Acid Catalysis

ACS macro letters, 2013-04, Vol.2 (4), p.306-312

2013

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Unexpected efficiency of cyclic amidine catalysts in depolymerizing poly(ethylene terephthalate)

Journal of polymer science. Part A, Polymer chemistry, 2013-04, Vol.51 (7), p.1606-1611

2013

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Accounting for Polarization Cost When Using Fixed Charge Force Fields. II. Method and Application for Computing Effect of Polarization Cost on Free Energy of Hydration

The journal of physical chemistry. B, 2010-07, Vol.114 (26), p.8631-8645

2010

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Meisenheimer Complex Inspired Catalyst- and Solvent-Free Synthesis of Noncyclic Poly(aryl ether sulfone)s

Macromolecules, 2014-12, Vol.47 (23), p.8131-8136

2014

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Development of a method for detecting trace metals in aqueous solutions based on the coordination chemistry of hexahydrotriazines

Analyst (London), 2015-08, Vol.140 (15), p.5184-5189

2015

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Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

Organic Acid-Catalyzed Polyurethane Formation via a Dual-Activated Mechanism: Unexpected Preference of N‑Activation over O‑Activation of Isocyanates

Mechanisms of Organocatalytic Amidation and Trans-Esterification of Aromatic Esters As a Model for the Depolymerization of Poly(ethylene) Terephthalate

Formation of bis-benzimidazole and bis-benzoxazole through organocatalytic depolymerization of poly(ethylene terephthalate) and its mechanism

Advanced chemical recycling of poly(ethylene terephthalate) through organocatalytic aminolysis

Hydrogen-Bonding Catalysts Based on Fluorinated Alcohol Derivatives for Living Polymerization

The Reaction Mechanism for the Organocatalytic Ring-Opening Polymerization of l-Lactide Using a Guanidine-Based Catalyst: Hydrogen-Bonded or Covalently Bound?

Dominant Decomposition Pathways for Ethereal Solvents in Li–O2 Batteries

Acyclic Guanidines as Organic Catalysts for Living Polymerization of Lactide

Characterization of the TIP4P-Ew water model: vapor pressure and boiling point

Catalyst Chelation Effects in Organocatalyzed Ring-Opening Polymerization of Lactide

Computational Investigations on Base-Catalyzed Diaryl Ether Formation

A Simple and Facile Approach to Aliphatic N‑Substituted Functional Eight-Membered Cyclic Carbonates and Their Organocatalytic Polymerization

Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide

Computational and Experimental Studies on the Mechanism of Formation of Poly(hexahydrotriazine)s and Poly(hemiaminal)s from the Reactions of Amines with Formaldehyde

Supramolecular motifs in dynamic covalent PEG-hemiaminal organogels

Organocatalytic depolymerization of poly(ethylene terephthalate)

Experimental and Computational Studies on the Mechanism of Zwitterionic Ring-Opening Polymerization of δ‑Valerolactone with N‑Heterocyclic Carbenes

N‑Heterocyclic Carbene-Catalyzed Ring Opening Polymerization of ε‑Caprolactone with and without Alcohol Initiators: Insights from Theory and Experiment

Accounting for Polarization Cost When Using Fixed Charge Force Fields. I. Method for Computing Energy

Polymerizing Base Sensitive Cyclic Carbonates Using Acid Catalysis

Unexpected efficiency of cyclic amidine catalysts in depolymerizing poly(ethylene terephthalate)

Accounting for Polarization Cost When Using Fixed Charge Force Fields. II. Method and Application for Computing Effect of Polarization Cost on Free Energy of Hydration

Meisenheimer Complex Inspired Catalyst- and Solvent-Free Synthesis of Noncyclic Poly(aryl ether sulfone)s

Development of a method for detecting trace metals in aqueous solutions based on the coordination chemistry of hexahydrotriazines

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