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Quoted phrase not found in phrase index: "3-hydroxybenzonitrile"
Page 1
Rotational spectra of o-, m-, and p-cyanophenol and internal rotation of p-cyanophenol.
Conrad AR, Barefoot NZ, Tubergen MJ. Conrad AR, et al. Phys Chem Chem Phys. 2010 Aug 1;12(29):8350-6. doi: 10.1039/c001705a. Epub 2010 May 26. Phys Chem Chem Phys. 2010. PMID: 20502845
A natural bond orbital analysis of the hydrogen bonding interaction in o- and m-cyanophenol revealed an intramolecular hydrogen bond that preferentially stabilizes the cis conformer of o-cyanophenol but there was no evidence of hydrogen bonding interactions in cis …
A natural bond orbital analysis of the hydrogen bonding interaction in o- and m-cyanophenol revealed an intramolecular hydroge …
Differing adsorption behavior of environmentally important cyanophenol isomers at the air-water interface.
Kido Soule MC, Hore DK, Jaramillo-Fellin DM, Richmond GL. Kido Soule MC, et al. J Phys Chem B. 2006 Aug 24;110(33):16575-83. doi: 10.1021/jp061351o. J Phys Chem B. 2006. PMID: 16913792
The average CN tilt angle (theta(0)), however, is found to differ between the isomers, such that the CN group points down toward the aqueous phase for m-cyanophenol (theta(0) = 96-106 degrees ) but points up toward the vapor phase for the p-cyanophenol (theta(0) = 6 …
The average CN tilt angle (theta(0)), however, is found to differ between the isomers, such that the CN group points down toward the aqueous …
Excitonic Splitting and Vibronic Coupling Analysis of the m-Cyanophenol Dimer.
Balmer FA, Kopec S, Köppel H, Leutwyler S. Balmer FA, et al. J Phys Chem A. 2017 Jan 12;121(1):73-87. doi: 10.1021/acs.jpca.6b10416. Epub 2016 Dec 21. J Phys Chem A. 2017. PMID: 28001398 Free article.
The S(1)/S(2) splitting of the m-cyanophenol dimer, (mCP)(2) and the delocalization of its excitonically coupled S(1)/S(2) states are investigated by mass-selective two-color resonant two-photon ionization and dispersed fluorescence spectroscopy, complemented by a t …
The S(1)/S(2) splitting of the m-cyanophenol dimer, (mCP)(2) and the delocalization of its excitonically coupled S(1)/S(2) sta …
First multi-tool exploration of a gas-condensate-pyrolysate system from the environment of burning coal mine heaps: An in situ FTIR and laboratory GC and PXRD study based on Upper Silesian materials.
Kruszewski Ł, Fabiańska MJ, Ciesielczuk J, Segit T, Orłowski R, Motyliński R, Kusy D, Moszumańska I. Kruszewski Ł, et al. Sci Total Environ. 2018 Nov 1;640-641:1044-1071. doi: 10.1016/j.scitotenv.2018.05.319. Epub 2018 Jun 6. Sci Total Environ. 2018. PMID: 30021271
Those with the highest presence chance include cyanogen isocyanate, cyanogen N-oxide, (iso)cyanic acid, c-cyanomethanimine (ethylenediimine), isocyanatomethane, iodocyanoacetylene, acetonitrile, acetaldehyde, m-hydroxybenzonitrile (m-cyanophenol), ison …
Those with the highest presence chance include cyanogen isocyanate, cyanogen N-oxide, (iso)cyanic acid, c-cyanomethanimine (ethylenediimine) …
Implementation of EC-RISM for ADC(2) and CC2 to Include Solvent Granularity Effects in Excited-State Energies and Gradients.
Haberhauer J, Kibies P, Kast SM, Hättig C. Haberhauer J, et al. J Chem Theory Comput. 2026 Jun 15. doi: 10.1021/acs.jctc.6c00419. Online ahead of print. J Chem Theory Comput. 2026. PMID: 42297730
We present applications to the molecular structures and the absorption and emission energies of 4-(N,N-dimethylamino)benzonitrile (DMABN), the photobase 7-amino-4-methylcoumarin, and the photoacids phenol and 3-cyanophenol in aqueous solution. As expected, for syste …
We present applications to the molecular structures and the absorption and emission energies of 4-(N,N-dimethylamino)benzonitrile (DMABN), t …