Results 51 to 60 of about 22,779,528 (191)

Intrinsic structure and dynamics of the water/nitrobenzene interface [PDF]

, 2007
In this paper we present results of a detailed and systematic molecular dynamics study of the water/nitrobenzene interface. Using a simple procedure to eliminate fluctuations of the interface position, we are able to obtain true intrinsic profiles for ...
Benjamin I., Benjamin I., Benjamin I., Berendsen H. J. C., Berendsen H. J. C., Buff F., Carpenter I. L., Chacón E., Chacón E., Chacón E., Chang T.-M., Chowdhary J., Cordeiro M. N. D. S., da Rocha S. R. P., Essman U., Fernandes P. A., Fernandes P. A., Fisk S., Gulaboski R., Gulaboski R., Hess B., Hockney R. W., Hoover W. G., Janssen R. H. C., Jedlovszky P., Jedlovszky P., Jorge M., Jorge M., Jorgensen W. L., Lindahl E., Linse P., Luo G., M. Natália D. S. Cordeiro, Markin V. S., Meyer M., Michael D., Michael D., Miguel Jorge, Mitrinovic D. M., Nosé S., Parrinello M., Patel H. A., Price M. L. P., Schweighofer K. J., Senapati S., Sides S. W., Tarazona P., Toxvaerd S., van Buuren A. R., Wang H., Weeks J. D., Zhang Y.   +51 more
core   +1 more source

Solvent extraction of some univalent cations into nitrobenzene solution of dicarbollylcobaltate and extractants containing two or three oxyamide groups

Results in Chemistry
Stability constants of the complexes of some commercially available ligands, containing two or three oxyamide groups in nitrobenzene have been determined from the extraction data.
Petr Vaňura, Pavel Selucký
doaj   +1 more source

Modeling of the Aniline with Nitrobenzene Reaction by PM6 Method [PDF]

, 2006
Modeling of the aniline with nitrobenzene reaction was carried out by PM6 method with tetramethylammonium hydroxide. Calculated data prove that the stage of transfer of hydride ion from the p-[sigma]-complex to the acceptor, i.e.
T.A. Klimova, V.V. Bochkarev, L.S. Soroka, Stern, Orlov, Zheng Ya-Jun, Glukhovtsev, Fernandez, Danikiewicz, Ayyangar, Stern, Bartmess   +11 more
core   +1 more source

Extraction and DFT Study on the Complexation of Zn2+ with Beauvericin

Acta Chimica Slovenica, 2014
From extraction experiments and γ-activity measurements, the exchange extraction constant corresponding to the equilibrium Zn2+(aq) + 1 . Sr2+(nb) ⇔1 .
Emanuel Makrlík, Petr Toman, Petr Vanŭra   +2 more
doaj  

FHBC, a Hexa‐\u3cem\u3eperi\u3c/em\u3e‐hexabenzocoronene–Fluorene Hybrid: A Platform for Highly Soluble, Easily Functionalizable HBCs with an Expanded Graphitic Core [PDF]

, 2018
Materials based upon hexa‐peri‐hexabenzocoronenes (HBCs) show significant promise in a variety of photovoltaic applications. There remains the need, however, for a soluble, versatile, HBC‐based platform, which can be tailored by incorporation of ...
Hossain, Mohammad M., Ivanov, Maxim V., Navale, Tushar S., Rathore, Rajendra   +3 more
core   +1 more source

Synergism and Radicals Dynamics in the Efficient Degradation of Basic Blue 41 via UV/Chlorine Process: Dependence on Processing Conditions

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT The UV/chlorine process, a promising advanced oxidation process, demonstrates remarkable synergism and radical dynamics for the efficient degradation of Basic Blue 41 (BB41). This study investigates the effects of processing conditions, including solution temperature (25°C–45°C), pollutant dose (10–40 mg/L), chlorine concentration (100–1000 μM)
Mounia Tidjani, Aissa Dehane, Slimane Merouani, Chawki Djelloul, Oualid Hamdaoui   +4 more
wiley   +1 more source

ATR-FTIR Spectroscopic Analysis of Sorption of Aqueous Analytes into Polymer Coatings Used with Guided SH-SAW Sensors [PDF]

, 2005
Attenuated total internal reflectance Fourier transform infrared (ATR-FTIR) spectroscopy was used for the investigation of sorption of aqueous solutions of analytes into polymer coatings. A series of simple model polymers, such as poly(dimethylsiloxane),
Hossenlopp, Jeanne, Johnson, Michael M., Jones, Yolanda K., Josse, Fabien, Li, Zhonghui   +4 more
core   +1 more source

Towards electron transport measurements in chemically modified graphene: The effect of a solvent

, 2010
Chemical functionalization of graphene modifies the local electron density of the carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on ...
Ensslin, K., Jacobsen, A., Koehler, F. M., Stark, W. J.   +3 more
core   +1 more source

Comparing the contribution of visible-light irradiation, gold nanoparticles, and titania supports in photocatalytic nitroaromatic coupling and aromatic alcohol oxidation [PDF]

, 2016
Under visible-light irradiation, gold nanoparticles (Au NPs) supported by titania (TiO₂) nanofibers show excellent activity and high selectivity for both reductive coupling of nitroaromatics to corresponding azobenzene or azoxylbenzene and selective ...
Bo, Arixin, Chen, Chao, Huang, Yiming, Ke, Xuebin, Liu, Hongwei, Sheng, Xianliang, Zhao, Jian, Zhu, Huaiyong   +7 more
core   +1 more source

Eco‐Friendly Synthesis of Cobalt Phthalocyanine for High‐Efficiency CO2${\rm CO}_{2}$ Electroreduction

Chemistry – A European Journal, EarlyView.
A sustainable synthesis of cobalt phthalocyanine (CoPc) using low‐impact solvents yields high‐performance electrocatalysts with reduced waste (E‐factor 18.6). When integrated into gas diffusion electrodes, CoPc achieves up to 12% Faradays efficiency for CO2‐to‐methanol and 65% CO2‐to‐CO conversion, aligning with state‐of‐the‐art materials and enabling ...
Gloria Zanotti, Federica Palmeri, Venanzio Raglione, Abdolhamid Khodadadi, Camille Tabaries, Jerome Capitolis, Mathieu Prevot, Laurent Piccolo, Mahmoud Zendehdel, Roberto Flammini, Giorgio Contini   +10 more
wiley   +1 more source