Large-amplitude transfer motion of hydrated excess protons mapped by ultrafast 2D IR spectroscopy

Communication: VSCF/VCI vibrational spectroscopy of H7 O 3 + and H9 O 4 + using high-level, many-body potential energy surface and dipole moment surfaces

(2017) Qi Yu et al.   JOURNAL OF CHEMICAL PHYSICS

The Hydrated Excess Proton in the Zundel Cation H5 O2 + : The Role of Ultrafast Solvent Fluctuations

(2016) Fabian Dahms et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Protons and Hydroxide Ions in Aqueous Systems

(2016) Noam Agmon et al.   CHEMICAL REVIEWS

Ultrafast 2D IR spectroscopy of the excess proton in liquid water

(2015) M. Thamer et al.   SCIENCE

An extensible interface for QM/MM molecular dynamics simulations with AMBER

(2013) Andreas W. Götz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The Curious Case of the Hydrated Proton

(2011) Chris Knight et al.   ACCOUNTS OF CHEMICAL RESEARCH

Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry

(2011) Roberto Peverati et al.   JOURNAL OF CHEMICAL PHYSICS

Apparent Stoichiometry of Water in Proton Hydration and Proton Dehydration Reactions in CH3CN/H2O Solutions

(2011) Noa Ben-Menachem Kalish et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water

(2009) H. J. Bakker et al.   CHEMICAL REVIEWS