Skip to main page content
Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

My NCBI Filters
Text availability
Article attribute
Article type
Publication date

Search Results

16 results
Filters applied: . Clear all Results are displayed in a computed author sort order. Results by year timeline is unavailable
Page 1
Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology.
Kreuer KD, Paddison SJ, Spohr E, Schuster M. Kreuer KD, et al. Among authors: spohr e. Chem Rev. 2004 Oct;104(10):4637-78. doi: 10.1021/cr020715f. Chem Rev. 2004. PMID: 15669165 No abstract available.
Sampling excited state dynamics: influence of HOOP mode excitations in a retinal model.
Klaffki N, Weingart O, Garavelli M, Spohr E. Klaffki N, et al. Among authors: spohr e. Phys Chem Chem Phys. 2012 Nov 7;14(41):14299-305. doi: 10.1039/c2cp41994g. Phys Chem Chem Phys. 2012. PMID: 23000918
Ab initio molecular dynamics of proton networks in narrow polymer electrolyte pores.
Ilhan MA, Spohr E. Ilhan MA, et al. Among authors: spohr e. J Phys Condens Matter. 2011 Jun 15;23(23):234104. doi: 10.1088/0953-8984/23/23/234104. Epub 2011 May 25. J Phys Condens Matter. 2011. PMID: 21613694
Ion mobility and clustering of sodium hydroxybenzoates in aqueous solutions: a molecular dynamics simulation study.
Gujt J, Podlipnik Č, Bešter-Rogač M, Spohr E. Gujt J, et al. Among authors: spohr e. Phys Chem Chem Phys. 2014 Sep 28;16(36):19314-26. doi: 10.1039/c4cp02425g. Phys Chem Chem Phys. 2014. PMID: 25099487
Structure and Stability of Long Rod-like Dodecyltrimethylammonium Chloride Micelles in Solutions of Hydroxybenzoates: A Molecular Dynamics Simulation Study.
Gujt J, Bešter-Rogač M, Spohr E. Gujt J, et al. Among authors: spohr e. Langmuir. 2016 Aug 16;32(32):8275-86. doi: 10.1021/acs.langmuir.6b02076. Epub 2016 Aug 2. Langmuir. 2016. PMID: 27442259
Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach.
Kenmoe S, Lisovski O, Piskunov S, Bocharov D, Zhukovskii YF, Spohr E. Kenmoe S, et al. Among authors: spohr e. J Phys Chem B. 2018 May 31;122(21):5432-5440. doi: 10.1021/acs.jpcb.7b11697. Epub 2018 Apr 11. J Phys Chem B. 2018. PMID: 29596747
Double layer effects in a model of proton discharge on charged electrodes.
Wiebe J, Spohr E. Wiebe J, et al. Among authors: spohr e. Beilstein J Nanotechnol. 2014 Jul 7;5:973-82. doi: 10.3762/bjnano.5.111. eCollection 2014. Beilstein J Nanotechnol. 2014. PMID: 25161833 Free PMC article.
Molecular dynamics simulation of the association of nonpolar spheres in water.
Spohr E, Henderson D. Spohr E, et al. J Colloid Interface Sci. 2002 Feb 15;246(2):316-20. doi: 10.1006/jcis.2001.8024. J Colloid Interface Sci. 2002. PMID: 16290417
Developing adaptive QM/MM computer simulations for electrochemistry.
Dohm S, Spohr E, Korth M. Dohm S, et al. Among authors: spohr e. J Comput Chem. 2017 Jan 5;38(1):51-58. doi: 10.1002/jcc.24513. Epub 2016 Oct 28. J Comput Chem. 2017. PMID: 27792250
Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study.
Wilhelm F, Schmickler W, Spohr E. Wilhelm F, et al. Among authors: spohr e. J Phys Condens Matter. 2010 May 5;22(17):175001. doi: 10.1088/0953-8984/22/17/175001. Epub 2010 Mar 23. J Phys Condens Matter. 2010. PMID: 21393659
16 results
Jump to page