18 citations · 75 across the 8 of their papers we have counts for
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cond-mat.soft2023★ 12 cited
Simulating two-dimensional correlation spectroscopies with third-order infrared and fifth-order infrared--Raman processes of liquid water
Hideaki Takahashi, Yoshitaka Tanimura
To investigate the possibility of measuring the intermolecular and intramolecular anharmonic coupling of balk water, we calculate third-order two-dimensional (2D) infrared (IR) spe…
cond-mat.soft2018★ 16 cited
A Simple and Effective Solution to the Constrained QM/MM Simulations
Hideaki Takahashi, Hiroyuki Kambe, Akihiro Morita
It is a promising extension of the quantum mechanical/molecular mechanical (QM/MM) approach to incorporate the solvent molecules surrounding the QM solute into the QM region to ens…