Mechanisms of organocatalytic amidation and trans-esterification of aromatic esters as a model for the depolymerization of poly(ethylene) terephthalate
- Hans W. Horn
- Gavin O. Jones
- et al.
- 2012
- Journal of Physical Chemistry A
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38 results for Hans W. Horn
QM/MM-based fitting of atomic polarizabilities for use in condensed-phase biomolecular simulation
- C. Ruben Vosmeer
- Ariën S. Rustenburg
- et al.
- 2012
- JCTC
Consensus computational ligand-based design for the identification of novel modulators of human estrogen receptor alpha
- Paul B. McKay
- Darren Fayne
- et al.
- 2012
- Molecular Informatics
Catalyst chelation effects in organocatalyzed ring-opening polymerization of lactide
- Daniel J. Coady
- Amanda C. Engler
- et al.
- 2011
- ACS Macro Letters
Catalytic insights into acid/base conjugates: Highly selective bifunctional catalysts for the ring-opening polymerization of lactide
- Daniel J. Coady
- Kazuki Fukushima
- et al.
- 2011
- Chemical Communications
Organocatalytic depolymerization of poly(ethylene terephthalate)
- Kazuki Fukushima
- Olivier Coulembier
- et al.
- 2011
- J Polym Sci Part A
Accounting for polarization cost when using fixed charge force fields. I. Method for computing energy
- William C. Swope
- Hans W. Horn
- et al.
- 2010
- Journal of Physical Chemistry B
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
- William C. Swope
- Hans W. Horn
- et al.
- 2010
- Journal of Physical Chemistry B
Acyclic guanidines as organic catalysts for living polymerization of lactide
- Lei Zhang
- Russell C. Pratt
- et al.
- 2010
- Macromolecules
Hydrogen-bonding catalysts based on fluorinated alcohol derivatives for living polymerization
- Olivier Coulembier
- Daniel P. Sanders
- et al.
- 2009
- Angewandte Chemie - International Edition