Hydrogen Bonding and the Structural Properties of Glycerol–Water Mixtures with a Microwave Field: a Molecular Dynamics Study

Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice

(2020) Runze Ma et al.   NATURE

A High‐Temperature Na‐Ion Battery: Boosting the Rate Capability and Cycle Life by Structure Engineering

(2020) Yanping Zhou et al.   Small

Supercritical Water is not Hydrogen Bonded

(2020) Philipp Schienbein et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Non-thermal effect of microwave in supercritical water: A molecular dynamics simulation study

(2020) Ying Hu et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis

(2019) Shaoqing Wang   ACS Omega

Insights into Hydration Dynamics and Cooperative Interactions in Glycerol–Water Mixtures by Terahertz Dielectric Spectroscopy

(2019) Ali Charkhesht et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Non-thermal effects of microwave in sodium chloride aqueous solution: Insights from molecular dynamics simulations

(2017) Jianchuan Liu et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular Simulation of Carbon Dioxide, Brine, and Clay Mineral Interactions and Determination of Contact Angles

(2014) Craig M. Tenney et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Influence of Microwaves on the Water Surface Tension

(2014) Harisinh Parmar et al.   LANGMUIR

On the influence of the microwaves’ thermal and non-thermal effects in titania photoassisted reactions

(2013) S. Horikoshi et al.   CATALYSIS TODAY

Translational and rotational diffusive motion in liquid water in square-wave time-varying electric fields

(2013) Riccardo Reale et al.   CHEMICAL PHYSICS LETTERS

Modelling of microwave heating of water in a monomode applicator – Influence of operating conditions

(2013) Robert Cherbański et al.   INTERNATIONAL JOURNAL OF THERMAL SCIENCES

Research on pyrolysis of toluene under microwave heating by using ReaxFF molecular dynamics simulations

(2013) Yi-Ming Zhang et al.   MOLECULAR PHYSICS

Manipulating the motion of polar molecules with microwave radiation

(2013) Simon Merz et al.   MOLECULAR PHYSICS

Dipolar response and hydrogen-bond kinetics in liquid water in square-wave time-varying electric fields

(2013) Riccardo Reale et al.   MOLECULAR PHYSICS

Replacement mechanism of methane hydrate with carbon dioxide from microsecond molecular dynamics simulations

(2012) Dongsheng Bai et al.   Energy & Environmental Science

Structural destabilization of chignolin under the influence of oscillating electric fields

(2012) Loukas G. Astrakas et al.   JOURNAL OF APPLIED PHYSICS

Hydrogen bonding analysis of glycerol aqueous solutions: A molecular dynamics simulation study

(2009) Cong Chen et al.   JOURNAL OF MOLECULAR LIQUIDS

Very Different Responses to Electromagnetic Fields in Binary Ionic Liquid-Water Solutions

(2009) Niall J. English et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Microsecond Simulations of Spontaneous Methane Hydrate Nucleation and Growth

(2009) M. R. Walsh et al.   SCIENCE

Microwave dielectric heating in synthetic organic chemistry

(2008) C. Oliver Kappe   CHEMICAL SOCIETY REVIEWS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

On Achieving Experimental Accuracy from Molecular Dynamics Simulations of Flexible Molecules:  Aqueous Glycerol

(2008) Austin B. Yongye et al.   JOURNAL OF PHYSICAL CHEMISTRY A

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation