Stare J - Search Results

1

Strong Hydrogen Bonds in Acetylenedicarboxylic Acid Dihydrate.

Novak U, Golobič A, Klančnik N, Mohaček-Grošev V, Stare J, Grdadolnik J. Novak U, et al. Among authors: stare j. Int J Mol Sci. 2022 May 31;23(11):6164. doi: 10.3390/ijms23116164. Int J Mol Sci. 2022. PMID: 35682843 Free PMC article.

2

Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.

Stare J, Panek J, Eckert J, Grdadolnik J, Mavri J, Hadzi D. Stare J, et al. J Phys Chem A. 2008 Feb 21;112(7):1576-86. doi: 10.1021/jp077107u. Epub 2008 Jan 29. J Phys Chem A. 2008. PMID: 18225869

3

Car-Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate.

Pirc G, Stare J, Mavri J. Pirc G, et al. Among authors: stare j. J Chem Phys. 2010 Jun 14;132(22):224506. doi: 10.1063/1.3429251. J Chem Phys. 2010. PMID: 20550407

4

Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study.

Stare J, Mavri J, Grdadolnik J, Zidar J, Maksić ZB, Vianello R. Stare J, et al. J Phys Chem B. 2011 May 19;115(19):5999-6010. doi: 10.1021/jp111175e. Epub 2011 Apr 25. J Phys Chem B. 2011. PMID: 21517054

5

Car-Parrinello simulation of the vibrational spectrum of a medium strong hydrogen bond by two-dimensional quantization of the nuclear motion: application to 2-hydroxy-5-nitrobenzamide.

Brela M, Stare J, Pirc G, Sollner-Dolenc M, Boczar M, Wójcik MJ, Mavri J. Brela M, et al. Among authors: stare j. J Phys Chem B. 2012 Apr 19;116(15):4510-8. doi: 10.1021/jp2094559. Epub 2012 Apr 6. J Phys Chem B. 2012. PMID: 22429110

6

Binding of cadmium dication to glutathione facilitates cysteine SH deprotonation: A computational DFT study.

Glušič M, Stare J, Grdadolnik J, Vianello R. Glušič M, et al. Among authors: stare j. J Inorg Biochem. 2013 Feb;119:90-4. doi: 10.1016/j.jinorgbio.2012.11.004. Epub 2012 Nov 21. J Inorg Biochem. 2013. PMID: 23231924

7

Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods.

Molčanov K, Stare J, Vener MV, Kojić-Prodić B, Mali G, Grdadolnik J, Mohaček-Grošev V. Molčanov K, et al. Among authors: stare j. Phys Chem Chem Phys. 2014 Jan 21;16(3):998-1007. doi: 10.1039/c3cp54026j. Epub 2013 Nov 26. Phys Chem Chem Phys. 2014. PMID: 24281720

8

Cooperativity Assisted Shortening of Hydrogen Bonds in Crystalline Oxalic Acid Dihydrate: DFT and NBO Model Studies.

Stare J, Hadži D. Stare J, et al. J Chem Theory Comput. 2014 Apr 8;10(4):1817-23. doi: 10.1021/ct500167n. J Chem Theory Comput. 2014. PMID: 26580388

9

Probing electrochemical reactions in organic cathode materials via in operando infrared spectroscopy.

Vizintin A, Bitenc J, Kopač Lautar A, Pirnat K, Grdadolnik J, Stare J, Randon-Vitanova A, Dominko R. Vizintin A, et al. Among authors: stare j. Nat Commun. 2018 Feb 14;9(1):661. doi: 10.1038/s41467-018-03114-1. Nat Commun. 2018. PMID: 29445156 Free PMC article.

10

Analysis of the polarized IR reflectance spectra of the monoclinic α-oxalic acid dihydrate.

Ivanovski V, Mayerhöfer TG, Stare J, Gunde MK, Grdadolnik J. Ivanovski V, et al. Among authors: stare j. Spectrochim Acta A Mol Biomol Spectrosc. 2019 Jul 5;218:1-8. doi: 10.1016/j.saa.2019.03.094. Epub 2019 Mar 28. Spectrochim Acta A Mol Biomol Spectrosc. 2019. PMID: 30952025

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