Publications by authors named "Christopher D Daub"

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Molecular dynamics simulations of atmospherically relevant molecular clusters: a case study of nitrate ion complexes.
Christopher David Daub, Theo Kurtén, Matti Rissanen

Phys Chem Chem Phys· May 2025

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Dynamics of hydrogen shift reactions between peroxy radicals.
Imon Mandal, Christopher David Daub, Rashid Valiev, Theo Kurtén, R Benny Gerber

Phys Chem Chem Phys· January 2025

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Attractive acceptor-acceptor interactions in self-complementary quadruple hydrogen bonds for molecular self-assembly.
Usman Ahmed, Christopher D Daub, Dage Sundholm, Mikael P Johansson

Phys Chem Chem Phys· September 2024

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Effect of an Electric Field on the Structure and Stability of Atmospheric Clusters.
Christopher David Daub, Theo Kurtén

J Phys Chem A· January 2024

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Large Gas-Phase Source of Esters and Other Accretion Products in the Atmosphere.
Otso Peräkylä, Torsten Berndt, Lauri Franzon, Galib Hasan, Melissa Meder, Christopher David Daub

J Am Chem Soc· April 2023

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Energy transfer, pre-reactive complex formation and recombination reactions during the collision of peroxy radicals.
Christopher David Daub, Itai Zakai, Rashid Valiev, Vili-Taneli Salo, R Benny Gerber

Phys Chem Chem Phys· May 2022

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Chemistrees: Data-Driven Identification of Reaction Pathways Machine Learning.
Sander Roet, Christopher D Daub, Enrico Riccardi

J Chem Theory Comput· October 2021

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Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide Salt on the Deprotonation of Formic Acid in Aqueous Solution.
Christopher D Daub, Lauri Halonen

J Phys Chem B· August 2019

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Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface.
Christopher D Daub, Vesa Hänninen, Lauri Halonen

J Phys Chem B· January 2019

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Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes.
Christopher D Daub, Natalie M Cann, D Bratko, Alenka Luzar

Phys Chem Chem Phys· November 2018

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Molecular alignment in molecular fluids induced by coupling between density and thermal gradients.
Christopher D Daub, Joakim Tafjord, Signe Kjelstrup, Dick Bedeaux, Fernando Bresme

Phys Chem Chem Phys· April 2016

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Local Field Factors and Dielectric Properties of Liquid Benzene.
Nazanin Davari, Christopher D Daub, Per-Olof Åstrand, Mikael Unge

J Phys Chem B· September 2015

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Lithium ion-water clusters in strong electric fields: a quantum chemical study.
Christopher D Daub, Per-Olof Åstrand, Fernando Bresme

J Phys Chem A· May 2015

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Thermo-molecular orientation effects in fluids of dipolar dumbbells.
Christopher D Daub, Per-Olof Åstrand, Fernando Bresme

Phys Chem Chem Phys· October 2014

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Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.
Christopher D Daub, Natalie M Cann

J Phys Chem A· November 2012

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Nanoscale wetting under electric field from molecular simulations.
Christopher D Daub, Dusan Bratko, Alenka Luzar

Top Curr Chem· April 2012

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How are completely desolvated ions produced in electrospray ionization: insights from molecular dynamics simulations.
Christopher D Daub, Natalie M Cann

Anal Chem· November 2011

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The influence of molecular-scale roughness on the surface spreading of an aqueous nanodrop.
Christopher D Daub, Jihang Wang, Shobhit Kudesia, Dusan Bratko, Alenka Luzar

Faraday Discuss· November 2010

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Microscopic dynamics of the orientation of a hydrated nanoparticle in an electric field.
Christopher D Daub, Dusan Bratko, Towshif Ali, Alenka Luzar

Phys Rev Lett· November 2009

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Structure of aqueous solutions of monosodium glutamate.
Christopher D Daub, Kevin Leung, Alenka Luzar

J Phys Chem B· May 2009

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Water-mediated ordering of nanoparticles in an electric field.
Dusan Bratko, Christopher D Daub, Alenka Luzar

Faraday Discuss· March 2009

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Field-exposed water in a nanopore: liquid or vapour?
Dusan Bratko, Christopher D Daub, Alenka Luzar

Phys Chem Chem Phys· December 2008

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Effect of field direction on electrowetting in a nanopore.
Dusan Bratko, Christopher D Daub, Kevin Leung, Alenka Luzar

J Am Chem Soc· March 2007

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Monte Carlo simulations of the adsorption of CO2 on the MgO(100) surface.
Christopher D Daub, G N Patey, D B Jack, A K Sallabi

J Chem Phys· March 2006

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Constant-volume heat capacity in a near-critical fluid from Monte Carlo simulations.
Christopher D Daub, Philip J Camp, G N Patey

J Chem Phys· November 2004

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