Events

Organizers: Ralf Kaiser, Robert J. McMahon Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule SUNDAY MORNING VZR-36 Ralf Kaiser, Presiding 10:30. Silicon chemistry & the molecular universe. A. Tielens 11:15. SiS detection and formation/destruction routes in shocked low-mass star-forming regions. N. Balucani 12:00. On the synthesis of the astronomically [...]

Organizers: Thom H. Dunning, Jr., Mark S. Gordon Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule SUNDAY MORNING VZR-35 Mark S. Gordon, Presiding 10:30. Quasi-atoms and their interactions in molecules. K. Ruedenberg 11:10. Quasi-atomic bonding analysis of Si 2 H 2 and C 2 H 2 isomers. E. Guidez, [...]

CO-SPONSORED BY COMP Organizers: Kenneth D. Jordan, Lyudmila Slipchenko, Alston Misquitta Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule SUNDAY MORNING Ab-Initio Methods and Force Fields: VZR-39 Toon Verstraelen, Presiding 10:30. A robust and accurate general force-field for the elements Z=1-86 (GFN-FF). S. Grimme 11:00. Multiconfigurational methods for molecular [...]

We thank our generous sponsors for their support! Organizers: Arnaldo L. Serrano, Liang Shi, Kevin Kubarych Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule MONDAY MORNING (I) Arnaldo Serrano, Presiding 8:00 Introductory Remarks. 8:05. Long-range interactions determine water structure and dynamics in crowded solutions. C. Baiz 8:30 Intermission. [...]

Organizers: David N. Beratan, Graham R. Fleming, Nancy Makri, Michael Therien, Michael R. Wasielewski  Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule MONDAY MORNING Biosystems:  VZR-42 Graham R. Fleming, Presiding 10:30. Controlling exciton transport using synthetic DNA scaffolds.  G. Schlau-Cohen 10:50. Controlling the pathways for protons and electrons. S. [...]

C. David Sherrill, Organizer and Presider Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule 10:30. Real Time Path Integral Methods For Condensed Phase Quantum Dynamics. Prof. Nancy Makri, University of Illinois at Urbana-Champaign. 2021 Award in Theoretical Physical Chemistry Virtual Only: Zoom Room 38 11:10. Elucidating, Analyzing, and Designing Spectroscopies: Leveraging [...]

C. David Sherrill, Organizer and Presider Georgia World Congress Center: Room B2 Exhibit Hall • Absorbance and fluorescence spectra of 5-(benzylidene) derivatives of thiobarbituric acid. S. Mendigalieva, T. Schmedake, N. Barashkov, I. Irgibayeva • Boron based surface modification of alcohol terminated fluorescent nanodiamonds. E. Uwadiale • Driven molecular dynamics simulations of Raman [...]

Organizers: Carol A. Parish, Todd Hopkins Location: Georgia World Congress Center B312 - B313a / Virtual Zoom Rooms Only (VZR) Symposia Schedule WEDNESDAY MORNING (I) Todd Hopkins, Presiding 8:00. Intermolecular interactions on multiple potential energy surfaces. N.M. Kidwell 8:30. Structures, properties, and reactivity of platinum group transition metal doped silicon [...]

Organizers: Kwangho Nam, Guohui Li Location: Virtual Zoom Rooms Only (VZR) Symposia Schedule WEDNESDAY AFTERNOON VZR-42 Protein Dynamics in Enzyme Design and Evolution Gerardo A. Cisneros, Presiding 4:30. Evolutionary origins of enzymatic specificity and dynamics. M. Wolf-Watz 5:00. Directed evolution of decarboxylase to carboxylation based on mutagenesis of amino acid [...]

C. David Sherrill, Organizer and Presider Row 6 • Quantifying dimethyl sulfoxide uptake in single crystalline ice using ATR-FTIR spectroscopy. P.K. Viswanathan, J.D. Cyran, C. Checinski • Time-resolved infrared spectroscopy of CN-substituted [FeFe]- Hydrogenase model species. A. Meyers, C.J. Stromberg, E.J. Heilweil • Ketenes in the pyrolysis of oxygenated hydrocarbons. K. El-Shazly, [...]