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The following term was not found in PubMed: 18 12992
Page 1
Small Molecules-Big Data.
Császár AG, Furtenbacher T, Árendás P. Császár AG, et al. J Phys Chem A. 2016 Nov 17;120(45):8949-8969. doi: 10.1021/acs.jpca.6b02293. Epub 2016 Oct 12. J Phys Chem A. 2016. PMID: 27673472
Vibrational infrared and Raman spectra of HCOOH from variational computations.
Avila G, Martín Santa Daría A, Mátyus E. Avila G, et al. Phys Chem Chem Phys. 2023 Jun 7;25(22):15183-15192. doi: 10.1039/d3cp00541k. Phys Chem Chem Phys. 2023. PMID: 37223906
All vibrational energies of the formic acid molecule in different forms (trans-, cis-, delocalized-) were converged up to 4500 cm(-1) beyond the zero-point vibrational energy with the GENIUSH-Smolyak variational approach and using an ab initio potential energy surface [D. P. Tew …
All vibrational energies of the formic acid molecule in different forms (trans-, cis-, delocalized-) were converged up to 4500 cm(-1) beyond …
Interaction of fluorescent phospholipids with cyclodextrins.
Denz M, Haralampiev I, Schiller S, Szente L, Herrmann A, Huster D, Müller P. Denz M, et al. Chem Phys Lipids. 2016 Jan;194:37-48. doi: 10.1016/j.chemphyslip.2015.07.017. Epub 2015 Jul 29. Chem Phys Lipids. 2016. PMID: 26232666
Vibrational ladder-climbing in surface-enhanced, ultrafast infrared spectroscopy.
Kraack JP, Hamm P. Kraack JP, et al. Phys Chem Chem Phys. 2016 Jun 28;18(24):16088-93. doi: 10.1039/c6cp02589g. Epub 2016 Jun 6. Phys Chem Chem Phys. 2016. PMID: 27265518 Free article.
In a recent work (J. Phys. Chem. C 2016, 120, 3350-3359), we have introduced the concept of surface-enhanced, two-dimensional attenuated total reflectance (2D ATR IR) spectroscopy with modest enhancement factors (<50) using small plasmonic noble metal nano …
In a recent work (J. Phys. Chem. C 2016, 120, 3350-3359), we have introduced the concept of surface-enhanced, two-dimen …
Lattice-Boltzmann simulations of microswimmer-tracer interactions.
de Graaf J, Stenhammar J. de Graaf J, et al. Phys Rev E. 2017 Feb;95(2-1):023302. doi: 10.1103/PhysRevE.95.023302. Epub 2017 Feb 1. Phys Rev E. 2017. PMID: 28297968
Here, we perform a systematic investigation of swimmer-tracer interaction using an efficient force-counterforce-based lattice-Boltzmann (LB) algorithm [De Graaf et al., J. Chem. Phys. 144, 134106 (2016)JCPSA60021-960610.1063/1.4944962] in order to validate it …
Here, we perform a systematic investigation of swimmer-tracer interaction using an efficient force-counterforce-based lattice-Boltzmann (LB) …
Analysis of electrolyte transport through charged nanopores.
Peters PB, van Roij R, Bazant MZ, Biesheuvel PM. Peters PB, et al. Phys Rev E. 2016 May;93(5):053108. doi: 10.1103/PhysRevE.93.053108. Epub 2016 May 13. Phys Rev E. 2016. PMID: 27300979
We prove that Onsager symmetry is preserved under changes of variables, which we illustrate by transformation to a different flux-force matrix given by Gross and Osterle [J. Chem. Phys. 49, 228 (1968)JCPSA60021-960610.1063/1.1669814]. The capillary pore model is wel …
We prove that Onsager symmetry is preserved under changes of variables, which we illustrate by transformation to a different flux-force matr …
Critical length of a one-dimensional nucleus.
Joswiak MN, Doherty MF, Peters B. Joswiak MN, et al. J Chem Phys. 2016 Dec 7;145(21):211916. doi: 10.1063/1.4962448. J Chem Phys. 2016. PMID: 28799350
46 results