Hans W. Horn

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Fast 3D molecular superposition and similarity search in databases of flexible molecules

Andreas Krämer, Julia E. Rice, Hans W. Horn, 2003, J. Comput. Aided Mol. Des..

FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules

Wolfgang Huber, Andreas Krämer, Michael Pitman, 2001, J. Comput. Aided Mol. Des..

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

Greg L. Hura, Hans W. Horn, J. Madura, 2004, The Journal of chemical physics.

ELECTRONIC STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS: THE PROGRAM SYSTEM TURBOMOLE

Hans W. Horn, Marco Häser, R. Ahlrichs, 1989 .

DESIGN OF OPTIMIZED PHOTOREFRACTIVE POLYMERS : A NOVEL CLASS OF CHROMOPHORES

Robert J. Twieg, P. M. Lundquist, Julia E. Rice, 1996 .

Prescreening of two‐electron integral derivatives in SCF gradient and Hessian calculations

Hans Horn, Hans W. Horn, R. Ahlrichs, 1991 .

Fully optimized contracted Gaussian basis sets for atoms Li to Kr

Hans W. Horn, A. Schäfer, R. Ahlrichs, 1992 .

Direct computation of second-order SCF properties of large molecules on workstation computers with an application to large carbon clusters

Hans W. Horn, Marco Häser, R. Ahlrichs, 1992 .

Recyclable, Strong Thermosets and Organogels via Paraformaldehyde Condensation with Diamines

Kumar Virwani, Hans W. Horn, Dylan J. Boday, 2014, Science.

Bonding in the aluminum cage compounds [Al(η5-C5R5)]4 and Al4X4, XH, F, Cl

Hans W. Horn, R. Ahlrichs, Reinhart Ahlrichs, 1991 .

Ab Initio Investigations of Structure and Stability of [R3SiAl]4, R = H, Me, tBu†

Hans W. Horn, Ansgar Schäfer, Reinhart Ahlrichs, 1992 .

QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation.

Hans W. Horn, William C Swope, Ariën S Rustenburg, 2012, Journal of chemical theory and computation.

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.

Hans W. Horn, William C Swope, Hans W Horn, 2010, The journal of physical chemistry. B.

Computational and experimental studies on the mechanism of formation of poly(hexahydrotriazine)s and poly(hemiaminal)s from the reactions of amines with formaldehyde.

Hans W. Horn, Jeannette M. García, J. Hedrick, 2014, Organic letters.

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

Hans W. Horn, Yi Yan Yang, J. Hedrick, 2015, Journal of the American Chemical Society.

Acyclic Guanidines as Organic Catalysts for Living Polymerization of Lactide

Hans W. Horn, J. Hedrick, J. Rice, 2010 .

The reaction mechanism for the organocatalytic ring-opening polymerization of l-lactide using a guanidine-based catalyst: hydrogen-bonded or covalently bound?

Hans W. Horn, J. Hedrick, William Swope, 2008, Journal of the American Chemical Society.

Synthesis of diblock copolymers by combination of organocatalyzed ring‐opening polymerization and atom transfer radical polymerization using trichloroethanol as a bifunctional initiator

Hans W. Horn, Robert D. Miller, J. Rice, 2016 .

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

Hans W. Horn, Jeannette M. García, J. Hedrick, 2015, The Analyst.

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

Hans W. Horn, Jeannette M. García, J. Hedrick, 2014 .

Towards an accurate gold carbonyl binding energy in AuCO+: Basis set convergence and a comparison between density functional and conventional methods

Hans W. Horn, Roland H. Hertwig, W. Koch, 1998 .

Organic acid-catalyzed polyurethane formation via a dual-activated mechanism: unexpected preference of N-activation over O-activation of isocyanates.

Hans W. Horn, Amanda C. Engler, Jeannette M. García, 2013, Journal of the American Chemical Society.

Mechanisms of organocatalytic amidation and trans-esterification of aromatic esters as a model for the depolymerization of poly(ethylene) terephthalate.

Hans W. Horn, J. Hedrick, K. Fukushima, 2012, The journal of physical chemistry. A.

Computational investigations on base-catalyzed diaryl ether formation.

Hans W. Horn, J. Hedrick, J. Rice, 2013, The Journal of organic chemistry.

Catalyst Chelation Effects in Organocatalyzed Ring-Opening Polymerization of Lactide.

Hans W. Horn, Amanda C. Engler, J. Hedrick, 2012, ACS macro letters.

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

Hans W. Horn, J. Hedrick, J. Rice, 2015, The journal of physical chemistry. B.

Experimental and computational studies on the mechanism of zwitterionic ring-opening polymerization of δ-valerolactone with N-heterocyclic carbenes.

Hans W. Horn, J. Hedrick, J. Rice, 2014, The journal of physical chemistry. B.

Organocatalytic depolymerization of poly(ethylene terephthalate)

Hans W. Horn, J. Hedrick, P. Dubois, 2011 .

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

Hans W. Horn, J. Hedrick, K. Fukushima, 2013 .

Supramolecular motifs in dynamic covalent PEG-hemiaminal organogels

E. W. Meijer, Hans W. Horn, Jeannette M. García, 2015, Nature Communications.

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

Hans W. Horn, J. Hedrick, K. Fukushima, 2011, Chemical communications.

Hydrogen-bonding catalysts based on fluorinated alcohol derivatives for living polymerization.

Hans W. Horn, J. Hedrick, P. Dubois, 2009, Angewandte Chemie.

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

Hans W. Horn, J. Hedrick, K. Fukushima, 2013 .

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

Hans W. Horn, J. Hedrick, K. Fukushima, 2020 .

Formation of hydronium ions on Brønsted sites in zeolitic catalysts: a quantum-chemical ab initio study

Hans W. Horn, Marco Häser, R. Ahlrichs, 1990 .

Polymerizing Base Sensitive Cyclic Carbonates Using Acid Catalysis.

Hans W. Horn, Amanda C. Engler, Yi Yan Yang, 2013, ACS macro letters.

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

Hans W. Horn, William C Swope, Jed W Pitera, 2005, The Journal of chemical physics.

Parallel direct SCF and gradient program for workstation clusters

Stefan Brode, Hans Horn, Reinhart Ahlrichs, 1993, J. Comput. Chem..

Cathode Electrochemistry in Nonaqueous Lithium Air Batteries

Hans W. Horn, B. McCloskey, V. Viswanathan, 2014 .

The boranes B3H7 and B6H14• a theoretical investigation

Hans W. Horn, R. Ahlrichs, C. Kölmel, 1988 .

Dominant Decomposition Pathways for Ethereal Solvents in Li-O2 Batteries.

Hans W. Horn, Jeannette M. García, J. Rice, 2015, The journal of physical chemistry letters.

Accounting for polarization cost when using fixed charge force fields. I. Method for computing energy.

Hans W. Horn, William C Swope, Hans W Horn, 2010, The journal of physical chemistry. B.

Consensus Computational Ligand‐Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha

Giorgio Carta, Darren Fayne, Hans W. Horn, 2012, Molecular informatics.

Hydrogen-bonding catalysts based on fluorinated alcohol derivatives for living polymerization.

Hans W. Horn, J. Hedrick, P. Dubois, 2009, Angewandte Chemie.