Vibrational spectroscopy and dynamics of water
We present an overview of recent static and time-resolved vibrational spectroscopic studies
of liquid water from ambient conditions to the supercooled state, as well as of crystalline and …
of liquid water from ambient conditions to the supercooled state, as well as of crystalline and …
Multiscale modeling of aqueous electric double layers
From the stability of colloidal suspensions to the charging of electrodes, electric double
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …
Surface stratification determines the interfacial water structure of simple electrolyte solutions
The distribution of ions at the air/water interface plays a decisive role in many natural
processes. Several studies have reported that larger ions tend to be surface-active, implying …
processes. Several studies have reported that larger ions tend to be surface-active, implying …
The photochemical reaction of phenol becomes ultrafast at the air–water interface
Reactions at the interface between water and other phases play important roles in nature
and in various chemical systems. Although some experimental and theoretical studies …
and in various chemical systems. Although some experimental and theoretical studies …
Second-order spectral lineshapes from charged interfaces
Second-order nonlinear spectroscopy has proven to be a powerful tool in elucidating key
chemical and structural characteristics at a variety of interfaces. However, the presence of …
chemical and structural characteristics at a variety of interfaces. However, the presence of …
Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation
From a glass of water to glaciers in Antarctica, water–air and ice–air interfaces are abundant
on Earth. Molecular-level structure and dynamics at these interfaces are key for …
on Earth. Molecular-level structure and dynamics at these interfaces are key for …
The shape of water in zeolites and its impact on epoxidation catalysis
Solvent structures that surround active sites reorganize during catalysis and influence the
stability of surface intermediates. Within zeolite pores, H2O molecules form hydrogen …
stability of surface intermediates. Within zeolite pores, H2O molecules form hydrogen …
Ultrafast dynamics at water interfaces studied by vibrational sum frequency generation spectroscopy
We present an overview of studies on the ultrafast dynamics of water at aqueous interfaces
carried out by time-resolved vibrational sum frequency generation (VSFG) spectroscopies …
carried out by time-resolved vibrational sum frequency generation (VSFG) spectroscopies …
Dissecting the molecular structure of the air/water interface from quantum simulations of the sum-frequency generation spectrum
The molecular characterization of the air/water interface is a key step in understanding
fundamental multiphase phenomena ranging from heterogeneous chemical processes in …
fundamental multiphase phenomena ranging from heterogeneous chemical processes in …
Getting the right answers for the right reasons: Toward predictive molecular simulations of water with many-body potential energy functions
F Paesani - Accounts of Chemical Research, 2016 - ACS Publications
Conspectus The central role played by water in fundamental processes relevant to different
disciplines, including chemistry, physics, biology, materials science, geology, and climate …
disciplines, including chemistry, physics, biology, materials science, geology, and climate …