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The Journal of Chemical Physics, ISSN 0021-9606, 02/2019, Volume 150, Issue 6, p. 69901
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 06/2018, Volume 14, Issue 6, pp. 3364 - 3364
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 10/2014, Volume 111, Issue 41, pp. 14681 - 14686
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 01/2013, Volume 139, Issue 5
We propose a new approach to calculate the conformational free energy of a macromolecule in a compact stable state in implicit solvent. The free energy is... 
Free energy
Journal Article
Physical Review Letters, ISSN 0031-9007, 11/2012, Volume 109, Issue 22, pp. 226102 - 226102
In this Letter, we develop a continuum theory for the Cassie-Baxter-Wenzel (CB-W) transition. The proposed model accounts for the metastabilities in the... 
RESISTANCE | PRESSURE | PHYSICS, MULTIDISCIPLINARY | FREE-ENERGY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2015, Volume 143, Issue 23, pp. 234109 - 234109
Recent analysis of well-tempered metadynamics (WTmetaD) showed that it converges without mollification artifacts in the bias potential. Here, we explore how... 
Artifacts | Alanine | Free energy | Convergence
Journal Article
Physical Review Letters, ISSN 0031-9007, 10/2007, Volume 99, Issue 16
For a macroscopic, isolated quantum system in an unknown pure state, the expectation value of any given observable is shown to hardly deviate from the ensemble... 
PHYSICS, MULTIDISCIPLINARY | SYSTEMS | FREE-ENERGY DIFFERENCES
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2014, Volume 140, Issue 22, p. 227102
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2014, Volume 140, Issue 22, p. 227101
Journal Article
Applied Surface Science, ISSN 0169-4332, 11/2019, Volume 494, pp. 610 - 618
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 03/2019, Volume 150, Issue 12
Journal Article
Journal of Physics Condensed Matter, ISSN 0953-8984, 01/2019, Volume 31, Issue 2
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2019, Volume 9, Issue 1, pp. 1 - 8
The use of conventional doping methods requires consideration of not only the energy connection with the base material but also the limits of the type and... 
Free energy
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 3, pp. 1471 - 1477
The skin surface, our first barrier against the external environment, is covered by the sebum oil, a lipid film composed of sebaceous and epidermal lipids,... 
Molecular dynamics | Lipids | Triglycerides | Skin | Free energy
Journal Article
11/2013
In this work, the effectiveness of native and chemically modified rice bran to remove heavy metal Pb(II) ions from aqueous solution was examined. Chemical... 
Industrial wastewater | Gibbs free energy | Pretreatments | Equilibrium isotherm
Web Resource
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