Difference between revisions of "DoSPT publications"

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This is a list of publications that highlight the capabilities and/or make use of the DoSPT code.
 
This is a list of publications that highlight the capabilities and/or make use of the DoSPT code.
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== 2018 ==
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'''S.R. Varanasi, Y. Subramanian, S.K. Bhatia''';<br />
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''High Interfacial Barriers at Narrow Carbon Nanotube--Water Interfaces'';<br />
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[https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.8b00616 Langmuir 34, 8099 (2018)].
  
 
== 2017 ==
 
== 2017 ==

Revision as of 09:38, 17 May 2019

This is a list of publications that highlight the capabilities and/or make use of the DoSPT code.

2018

S.R. Varanasi, Y. Subramanian, S.K. Bhatia;
High Interfacial Barriers at Narrow Carbon Nanotube--Water Interfaces;
Langmuir 34, 8099 (2018).

2017

Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila;
Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution;
J. Chem. Theory Comput. 13, 3432 (2017).

2016

Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo;
Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations;
J. Chem. Phys. 145, 244504 (2016).