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Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water
- C. J. Fecko, J. Eaves, J. Loparo, A. Tokmakoff, P. Geissler
- Physics, ChemistryScience
- 19 September 2003
Using simulations of an atomistic model of water, this work relates frequency fluctuations in the OH-stretching frequency of HOD in liquid D2O with femtosecond infrared spectroscopy to intermolecular dynamics.
Theory of coherent resonance energy transfer.
- Seogjoo J. Jang, Yuan-Chung Cheng, D. Reichman, J. Eaves
- PhysicsThe Journal of chemical physics
- 11 September 2008
Numerical tests show that quantum coherence can cause significant changes in steady state donor/acceptor populations from those predicted by the FD theory and illustrate delicate cooperation of nonequilibrium and quantum coherent effects on the transient population dynamics.
Reorientational and configurational fluctuations in water observed on molecular length scales
Spatial dimension and the dynamics of supercooled liquids
This work has simulated an atomistic model of a supercooled liquid in three and four spatial dimensions and adds a stringent test for emerging theories of glassy dynamics.
Competition between electron transfer, trapping, and recombination in CdS nanorod-hydrogenase complexes.
- J. K. Utterback, M. Wilker, K. Brown, P. King, J. Eaves, G. Dukovic
- PhysicsPhysical chemistry chemical physics : PCCP
- 10 February 2015
This work determines rate constants and quantum efficiencies for electron transfer from transient absorption measurements for CdS-hydrogenase complexes by accounting for the distributions in the numbers of electron traps and enzymes adsorbed.
Hydrogen bonds in liquid water are broken only fleetingly.
- J. Eaves, J. Loparo, C. J. Fecko, S. Roberts, A. Tokmakoff, P. Geissler
- Chemistry, PhysicsProceedings of the National Academy of Sciences…
- 13 September 2005
A combination of femtosecond 2D IR spectroscopy and molecular dynamics simulations are reported to investigate the stability of NHB species in an isotopically dilute mixture of HOD in D2O and demonstrate that NHBs are intrinsically unstable and that dangling hydrogen bonds are an insignificant species in liquid water.
Observation of trapped-hole diffusion on the surfaces of CdS nanorods.
- J. K. Utterback, Amanda N Grennell, M. Wilker, Orion M Pearce, J. Eaves, G. Dukovic
- PhysicsNature chemistry
- 1 November 2016
It is demonstrated that trapped holes in CdS nanorods are mobile and execute a random walk at room temperature and proposed that diffusive trapped-hole motion is a general phenomenon in C dS nanocrystals, but one that is normally obscured in structures in which the wavefunctions of the electron and trapped hole spatially overlap.
Electric field fluctuations drive vibrational dephasing in water.
- J. Eaves, A. Tokmakoff, P. Geissler
- Physics, ChemistryThe journal of physical chemistry. A
- 30 September 2005
A microscopic description of the vibrational spectroscopy of the OH stretch of HOD in liquid D(2)O is presented, predicting that OH frequency correlations decay with a sharp and rapid decrease, followed by a beat at approximately 125 fs from intermolecular oxygen vibrations.
Isotropic and anisotropic Raman scattering from molecular liquids measured by spatially masked optical Kerr effect spectroscopy
Spatially masked optical Kerr effect (SM-OKE) spectroscopy is a nonresonant femtosecond pump–probe technique capable of measuring isotropic contributions to the transient birefringence of molecular…
Quantum Efficiency of Charge Transfer Competing against Nonexponential Processes: The Case of Electron Transfer from CdS Nanorods to Hydrogenase
- J. K. Utterback, M. Wilker, David W. Mulder, P. King, J. Eaves, G. Dukovic
- Physics, ChemistryThe Journal of Physical Chemistry C
- 6 December 2018
Photoexcited charge transfer from semiconductor nanocrystals to charge acceptors is a key step for photon energy conversion in semiconductor nanocrystal-based light-harvesting systems. Charge…