31 citations · 31 across the 1 of their papers we have counts for
2 papers
physics.bio-ph2021
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine-Trimer
Padmabati Mondal, Pierre-André Cazade, Akshaya K. Das +2
The dynamics and spectroscopy of N-methyl-acetamide (NMA) and trialanine in solution is characterized from molecular dynamics (MD) simulations using different energy functions, inc…
physics.chem-ph2020★ 31 cited
Perspective: Non-conventional Force Fields for Applications in Spectroscopy and Chemical Reaction Dynamics
D. Koner, M. S. Salehi, P. Mondal +1
Extensions and improvements of empirical force fields are discussed in view of applications to computational vibrational spectroscopy and reactive molecular dynamics simulations. P…