Hydrogen bonding between formic acid and water: complete stabilization of the intrinsically unstable conformer
K Marushkevich, L Khriachtchev… - The Journal of Physical …, 2007 - ACS Publications
We studied hydrogen bonding between formic acid (FA) and water in solid argon and
identified the first water complex with the higher-energy conformer cis-FA. In sharp contrast …
identified the first water complex with the higher-energy conformer cis-FA. In sharp contrast …
Analysis of nuclear quantum effects on hydrogen bonding
C Swalina, Q Wang, A Chakraborty… - The Journal of …, 2007 - ACS Publications
The impact of nuclear quantum effects on hydrogen bonding is investigated for a series of
hydrogen fluoride (HF) n clusters and a partially solvated fluoride anion, F-(H2O). The …
hydrogen fluoride (HF) n clusters and a partially solvated fluoride anion, F-(H2O). The …
Dynamical electron-proton correlation in the nuclear-electronic orbital framework
CW Swalina - 2007 - etda.libraries.psu.edu
Methods for including dynamical electron-proton correlation within the nuclear-electronic
orbital (NEO) framework are explored. In the NEO approach, nuclear quantum effects are …
orbital (NEO) framework are explored. In the NEO approach, nuclear quantum effects are …