Monte Carlo microsolvation simulations for excited states using a mixed-Hamiltonian model with polarizable and vibrating waters: Applications to the blueshift of the H2CO 1(π*←n) excitation

Y. Kawashima, M. Dupuis, K. Hirao

Research output: Contribution to journal › Article › peer-review

34 Citations (Scopus)

Fingerprint Dive into the research topics of 'Monte Carlo microsolvation simulations for excited states using a mixed-Hamiltonian model with polarizable and vibrating waters: Applications to the blueshift of the H<sub>2</sub>CO <sup>1</sup>(π*←n) excitation'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy