253rd National Meeting (2017)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

American Chemical Society

PHYS Division Awards Symposium

Inverse design of interactions for assembly

Award Address (Francis P. Garvan–John M. Olin Medal sponsored by Francis P. Garvan–John M. Olin Medal Endowment). From active molecules to atmospheric models: The central role of molecular level understanding in improving human health and welfare

Scalable electron-correlation methods and instabilities versus strong correlation: A legacy of Peter Pulay

How and when does a drug leave the binding pocket of a host protein

Spectroscopic resolution attosecond measurements

From ultrafast spectroscopy to structural dynamics

Dynamics and mechanism of ultrafast water-protein interactions

Atmospheric photochemistry of pyruvic acid and related oxoacids

Free energy simulations of protein-ligand binding and solvation at the interface

Ultrafast protein folding

Composition and chemistry of the liquid/vapor interface of aqueous solutions

Anion photoelectron/photodissociation spectroscopies: Ozonide solvation dynamics

Merging symmetry projection methods with coupled cluster theory

Probed quantum systems from the inside: On the attosecond time scale

Award Address (Peter Debye Award in Physical Chemistry sponsored by DuPont). Enhanced sampling for thermodynamics and kinetics of ligand-protein binding and unbinding

34 years of local electron correlation: From Peter Pulay's pioneering work to the state-of-the-art

How to turn a right hand into left: Chiral plasmons and more

Award Address (ACS Award in Theoretical Chemistry sponsored by the ACS Division of Physical Chemistry). Molecular properties from quantum mechanical calculations 1967 - 2017: Synergy, successes, and challenges

Towards molecular-level understanding of growth, formation and properties of atmospheric acid-base particles

Density cumulant functional theory

Studies of halogen chemistry in the Arctic

Enhanced reactivity in aqueous aerosols:  Why bulk-phase aqueous measurements can mislead us

Nano-scale drying and hydration phenomena

Ultra-Coarse-Graining and its applications

Probing ultrafast photochemical processes in solution with femtosecond spectroscopies

Unimolecular decay of Criegee intermediates to hydroxyl radical products

Molecular dynamics simulation studies of ions and acids at atmospherically relevant aqueous solution-air interfaces

Hard spheres under gravity

In search of transition states of chemical reactions. A tribute to Ahmed Zewail

Orderphobic effect: A general mechanism for membrane mediated forces between proteins

Better chemical filters for better life

Paradigm changes in the methodology of computational quantum chemistry: A tribute to the contributions by Peter Pulay

Probing and controlling molecular electronic and vibrational states with shaped laser pulses

Formation of exotic networks of water clusters in helium droplets facilitated by the presence of neon atoms

Award Address (Joel Henry Hildebrand Award in the Theoretical & Experimental Chemistry of Liquids sponsored by ExxonMobil Research & Engineering Company). Disordered hyperuniform materials: New states of amorphous matter

Properties of molecular clusters from broadband molecular rotational spectroscopy

Always acetylene!

Molecular dynamics simulations of protein dynamics from femtoseconds to milliseconds

Structure and dynamics in cold aqueous clusters: Quantum and classical perspectives

Organic photochemistry in atmospheric particulate matter

Award Address (Ahmed Zewail Award in Ultrafast Science & Technology sponsored by the Ahmed Zewail Endowment Fund by the Newport Corporation (Newport)). Ultrafast x-ray dynamics

Use of molecular dynamics simulations in structure based drug discovery

Award Address (E. Bright Wilson Award in Spectroscopy sponsored by the ACS Division of Physical Chemistry). Good, good, good rovibrations!

PHYS Division Awards Symposium

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Inverse design of interactions for assembly