Chemical Dynamics

A branch of physical chemistry that seeks to explain time-dependent phenomena in terms of the detailed motion of the nuclei and electrons that… (More)
National Institutes of Health

Topic mentions per year

Topic mentions per year

1942-2017
0102019422016

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
In a direct dynamics simulation, the technologies of chemical dynamics and electronic structure theory are coupled so that the… (More)
  • table 4
  • table 5
Is this relevant?
2015
2015
High density and controllable nitrogen doping in graphene is a critical issue to realize high performance graphene-based devices… (More)
Is this relevant?
2014
2014
A new deep acceptor state is identified by density functional theory calculations, and physically activated by an Au ion… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2011
2011
Recent advances in nanotechnology have produced the first sensor transducers capable of resolving the adsorption and desorption… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2010
2010
Scientists at the Chemical Dynamics Beamline of the Advanced Light Source in Berkeley are continuously reinventing synchrotron… (More)
Is this relevant?
2008
2008
  • Ivan Kassala, Stephen P. Jordanb, Peter J. Lovec, Masoud Mohsenia, Alán Aspuru-Guzika, Todd J. Martinez
  • 2008
The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As… (More)
  • figure 1
  • figure 2
  • figure 3
Is this relevant?
2007
2007
This essay provides a perspective on several issues in valence bond theory: the physical significance of semilocal bonding… (More)
Is this relevant?
2006
2006
Modern ultrafast spectroscopic techniques provide new opportunities to study chemical reaction dynamics in liquids and hold the… (More)
Is this relevant?
2004
2004
Recent progress in the theoretical treatment of electronically nonadiabatic processes is discussed. First we discuss the… (More)
  • figure 1
  • figure 2
  • figure 3
  • table 1
  • table 2
Is this relevant?
2001
2001
A multimedia model has been developed to account for the movement of semi-volatile organic compounds (SOCs) in an urban… (More)
Is this relevant?