Nuclear quantum effects on the hydrogen bond donor–acceptor exchange in water–water and water

Nuclear quantum effects on the hydrogen bond donor–acceptor exchange in water–water and water–methanol dimers

Published:2020-08-07 Issue:5 Volume:153 Page:054302
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Méndez Emilio¹^ORCID,Laria Daniel¹²^ORCID

Affiliation:

1. Departamento de Química Inorgánica Analítica y Química-Física e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, 1428 Buenos Aires, Argentina

2. Departamento de Física de la Materia Condensada, Comisión Nacional de Energía Atómica, Avenida Libertador 8250, 1429 Buenos Aires, Argentina

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0016122

Reference62 articles.

1. Group theoretical classification of the tunneling–rotational energy levels of water dimer

2. Rearrangements of Water Dimer and Hexamer

3. Characterization of the (D2O)2 Hydrogen-Bond-Acceptor Antisymmetric Stretch by IR Cavity Ringdown Laser Absorption Spectroscopy

4. Infrared cavity ringdown spectroscopy of water clusters: O–D stretching bands

5. Elucidating the role of many-body forces in liquid water. I. Simulations of water clusters on the VRT(ASP-W) potential surfaces

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Nuclear Quantum Effects in Hydroxide Hydrate Along the H-Bond Bifurcation Pathway;The Journal of Physical Chemistry A;2024-02-23

2. Collective Proton Transfers in Cyclic Water–Ammonia Tetramers: A Path Integral Machine-Learning Study;The Journal of Physical Chemistry A;2023-02-16

3. Equilibrium and Dynamical Characteristics of Hydrogen Bond Bifurcations in Water–Water and Water–Ammonia Dimers: A Path Integral Molecular Dynamics Study;The Journal of Physical Chemistry A;2022-07-14

4. Atomic mass dependence of the nuclear quantum effect in NH4+(H2O);Chemical Physics;2022-01

5. A Machine Learning Model to Classify Dynamic Processes in Liquid Water**;ChemPhysChem;2021-11-11