|
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
|
journal
|
April 1996 |
|
Healable, Recyclable, and Mechanically Tough Polyurethane Elastomers with Exceptional Damage Tolerance
|
journal
|
November 2020 |
|
The ozone attack on swollen elastomeric networks
|
journal
|
October 1969 |
|
Ozone attack on rubber vulcanizates
|
journal
|
January 1956 |
|
On the limited memory BFGS method for large scale optimization
|
journal
|
August 1989 |
|
Time-dependent density functional theory within the Tamm–Dancoff approximation
|
journal
|
December 1999 |
|
Bulk depolymerization of poly(methyl methacrylate) via chain-end initiation for catalyst-free reversion to monomer
|
journal
|
September 2023 |
|
Bioinspired Multifunctional Anti-icing Hydrogel
|
journal
|
March 2020 |
|
Improved cardanol derived epoxy coatings
|
journal
|
February 2016 |
|
The Raman OH stretching bands of liquid water
|
journal
|
November 2009 |
|
Polydiketoenamines for a Circular Plastics Economy
|
journal
|
September 2022 |
|
In Situ / Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy
|
journal
|
September 2020 |
|
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field
|
journal
|
May 2023 |
|
Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation
|
journal
|
June 2016 |
|
Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics
|
journal
|
May 2019 |
|
Ion-Specific Interfacial Crystallization of Polymer-Grafted Nanoparticles
|
journal
|
July 2017 |
|
Charge Scaling Manifesto: A Way of Reconciling the Inherently Macroscopic and Microscopic Natures of Molecular Simulations
|
journal
|
November 2019 |
|
Swelling-Activated, Soft Mechanochemistry in Polymer Materials
|
journal
|
February 2023 |
|
Tuning Ice Nucleation and Propagation with Counterions on Multilayer Hydrogels
|
journal
|
September 2018 |
|
Swelling Dynamics of a Disk-Shaped Gel
|
journal
|
May 2021 |
|
Mechanical Acceleration of Ester Bond Hydrolysis in Polymers
|
journal
|
November 2022 |
|
Rational Design of Chemical Catalysis for Plastic Recycling
|
journal
|
April 2022 |
|
Circular Polydiketoenamine Elastomers with Exceptional Creep Resistance via Multivalent Cross-Linker Design
|
journal
|
November 2023 |
|
OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation
|
journal
|
November 2012 |
|
Cation-Water Interactions: The M+(H2O)n Clusters for Alkali Metals, M = Li, Na, K, Rb, and Cs
|
journal
|
March 1995 |
|
Specific Ion Effects on the Water Solubility of Macromolecules: PNIPAM and the Hofmeister Series
|
journal
|
October 2005 |
|
Specific Ion Effects on Interfacial Water Structure near Macromolecules
|
journal
|
October 2007 |
|
Structure of Hydronium (H 3 O + )/Chloride (Cl − ) Contact Ion Pairs in Aqueous Hydrochloric Acid Solution: A Zundel-like Local Configuration
|
journal
|
September 2010 |
|
Variable Amine Spacing Determines Depolymerization Rate in Polydiketoenamines
|
journal
|
March 2023 |
|
Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide
|
journal
|
August 2017 |
|
Molecular Scale Solvation in Complex Solutions
|
journal
|
July 2019 |
|
How Ions Affect the Structure of Water: A Combined Raman Spectroscopy and Multivariate Curve Resolution Study
|
journal
|
December 2013 |
|
Solvent Swelling Activation of a Mechanophore in a Polymer Network
|
journal
|
April 2014 |
|
Ion-specific ice recrystallization provides a facile approach for the fabrication of porous materials
|
journal
|
May 2017 |
|
Forcing the reversibility of a mechanochemical reaction
|
journal
|
August 2018 |
|
Closed-loop recycling of plastics enabled by dynamic covalent diketoenamine bonds
|
journal
|
April 2019 |
|
Olefin metathesis-based chemically recyclable polymers enabled by fused-ring monomers
|
journal
|
July 2021 |
|
Sustainable polyesters via direct functionalization of lignocellulosic sugars
|
journal
|
June 2022 |
|
Chemical recycling to monomer for an ideal, circular polymer economy
|
journal
|
April 2020 |
|
Closed-loop recycling of polyethylene-like materials
|
journal
|
February 2021 |
|
Strong tough hydrogels via the synergy of freeze-casting and salting out
|
journal
|
February 2021 |
|
In situ Raman spectroscopy reveals the structure and dissociation of interfacial water
|
journal
|
December 2021 |
|
Biorenewable and circular polydiketoenamine plastics
|
journal
|
July 2023 |
|
Chemical and biological catalysis for plastics recycling and upcycling
|
journal
|
July 2021 |
|
Promoting Cu-catalysed CO2 electroreduction to multicarbon products by tuning the activity of H2O
|
journal
|
August 2023 |
|
Activity of water in aqueous systems; A frequently neglected property
|
journal
|
January 2005 |
|
Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals
|
journal
|
January 2009 |
|
Comparison of simple potential functions for simulating liquid water
|
journal
|
July 1983 |
|
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
|
journal
|
August 2021 |
|
Tuning ice nucleation with counterions on polyelectrolyte brush surfaces
|
journal
|
June 2016 |
|
Circularity in mixed-plastic chemical recycling enabled by variable rates of polydiketoenamine hydrolysis
|
journal
|
July 2022 |
|
Chemically recyclable thermoplastics from reversible-deactivation polymerization of cyclic acetals
|
journal
|
August 2021 |
|
Chemically circular, mechanically tough, and melt-processable polyhydroxyalkanoates
|
journal
|
April 2023 |
|
SolvationAnalysis: A Python toolkit for understanding liquid solvation structure in classical molecular dynamics simulations
|
journal
|
April 2023 |
|
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations
|
conference
|
January 2016 |
|
Vibrational Raman Spectroscopy of the Hydration Shell of Ions
|
journal
|
December 2022 |