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A path integral molecular dynamics study on intermolecular hydrogen bond of acetic acid-arsenic acid anion and acetic acid-phosphoric acid anion clusters

article

Determining if Reaction Selectivity Can Be Controlled by the H/D Isotope Effect in CH···O Interactions

scientific article published on 09 November 2020

First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion

artículo científico publicado en 2020

Hydration Effect on Positron Binding Ability of Proline: Positron Attachment Induces Proton-Transfer To Form Zwitterionic Structure

scientific article published on 04 February 2019

Molecular Dynamics Study on Dynamical Features of Reorganization Process for Nanocapsule Formed with Gear-Shaped Amphiphile Molecules

artículo científico publicado en 2019

One-Dimensional Fullerene/Porphyrin Cocrystals: Near-Infrared Light Sensing through Component Interactions

artículo científico publicado en 2019

Positron-electron correlation-polarization potential model for positron binding in polyatomic molecules

scientific article published on 30 March 2020

Quantum Stabilization of the Frustrated Hydrogen Bonding Structure in the Hydrogen Fluoride Trimer

scientific article published on 05 September 2019

Reduction of OH vibrational frequencies in amino acids by positron attachment

article

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