Yinan Shu

20132018
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  • 6 Similar Profiles
intersections Physics & Astronomy
Silicon Chemical Compounds
Nanocrystals Chemical Compounds
Potential energy surfaces Chemical Compounds
nanocrystals Physics & Astronomy
silicon Physics & Astronomy
Excited states Chemical Compounds
Defects Chemical Compounds

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Research Output 2013 2018

  • 18 Article
  • 1 Conference contribution
6 Citations (Scopus)

Dynamics of recombination: Via conical intersection in a semiconductor nanocrystal

Peng, W. T., Fales, B. S., Shu, Y. & Levine, B. G., Jan 1 2018, In : Chemical Science. 9, 3, p. 681-687 7 p.

Research output: Contribution to journalArticle

Nanocrystals
Semiconductor materials
Defects
Electronic states
Excited states

Extended Hamiltonian molecular dynamics: Semiclassical trajectories with improved maintenance of zero point energy

Shu, Y., Dong, S., Parker, K. A., Bao, J. L., Zhang, L. & Truhlar, D. G., Jan 1 2018, In : Physical Chemistry Chemical Physics. 20, 48, p. 30209-30218 10 p.

Research output: Contribution to journalArticle

Hamiltonians
zero point energy
maintenance
Molecular dynamics
Trajectories
2 Citations (Scopus)
Photodissociation
Potential energy surfaces
photodissociation
potential energy
Potential energy
9 Citations (Scopus)
configuration interaction
Derivatives
orbitals
Electronic states
Atoms
5 Citations (Scopus)
Polyenes
Butadiene
Ground state
Reaction Time
Density functional theory