Results 31 to 40 of about 40,685 (294)

Dissolved carbon and CDOM in lake ice and underlying waters along a salinity gradient in shallow lakes of Northeast China [PDF]

, 2019
The variations of DOC and DIC concentrations in lake ice and underlying waters were examined in 40 shallow lakes across the Songnen Plain, Northeast China.
Du, Jia, Jacinthe, Pierre-André, Song, Kaishan, Wen, Zhidan, Zhao, Ying   +4 more
core   +1 more source

Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene [PDF]

Journal of the Serbian Chemical Society, 2015
The aromatic/antiaromatic behavior of the cyclopentadienyl anion (Cp-), bis(η5-cyclopentadienyl)iron(II) (Fe(Cp)2), as well as of the Jahn-Teller (JT) active cyclopentadienyl radical (Cp∙) and bis(η5-cyclopentadienyl)cobalt(II) (Co(Cp)2) has ...
Anđelković Ljubica, Perić Marko, Zlatar Matija, Gruden-Pavlović Maja   +3 more
doaj   +1 more source

Nucleus-Independent Chemical Shift (NICS) as a Criterion for the Design of New Antifungal Benzofuranones

Molecules, 2021
The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-
María de los Ángeles Zermeño-Macías, Marco Martín González-Chávez, Francisco Méndez, Arlette Richaud, Rodolfo González-Chávez, Luis Enrique Ojeda-Fuentes, Perla del Carmen Niño-Moreno, Roberto Martínez   +7 more
doaj   +1 more source

The biogeochemistry of carbon across a gradient of streams and rivers within the Congo Basin [PDF]

, 2014
Dissolved organic carbon (DOC) and inorganic carbon (DIC and pCO2), lignin biomarkers and the optical properties of dissolved organic matter (DOM) were measured in a gradient of streams and rivers within the Congo Basin (Republic of Congo), with the aim ...
Aerts, Aiken, Aitkenhead, Alin, Aufdenkampe, Battin, Benner, Bouillon, Brunet, Bwangoy, Cole, Cory, Coynel, Davidson, Del Vecchio, Fellman, Goñi, Goñi, Hamilton, Hedges, Hedges, Hedges, Helms, Hernes, Hernes, Hernes, Hernes, Hernes, Hernes, Hernes, Hood, Johnson, Johnson, Koenig, Laporte, Laraque, Mann, Mayorga, Mayorga, McKnight, Mladenov, O'Donnell, Pellerin, Pellerin, Pinney, Richey, Richey, Richey, Sanderman, Spencer, Spencer, Spencer, Spencer, Spencer, Spencer, Spencer, Spencer, Striegl, Wang, Wang, Ward, Weishaar, Weiss, Wilson, Worrall, Yamashita, Yamashita   +66 more
core   +1 more source

Too Persistent to Resist: Aromaticity in 16e Osmapentalene Radicals Survives Regardless of Redox

Chemistry
As one of the most important concepts in organic chemistry, aromaticity has attracted considerable attention from both theoretical and experimental chemists.
Shijie Pan, Jun Yan, Weitang Li, Zhigang Shuai, Jun Zhu   +4 more
doaj   +1 more source

Aromaticity in a Surface Deposited Cluster: Pd$_4$ on TiO$_2$ (110)

, 2011
We report the presence of \sigma-aromaticity in a surface deposited cluster, Pd$_4$ on TiO$_2$ (110). In the gas phase, Pd$_4$ adopts a tetrahedral structure. However, surface binding promotes a flat, \sigma-aromatic cluster.
Alexandrova A. N., Alexandrova A. N., Alexandrova A. N., Anastassia N. Alexandrova, Averkiev B. B., Boldyrev A. I., Boldyrev A. I., Duncan W. R., Fowler P. W., Fowler P. W., Frank M., Fu Q., Hakkinen H., Haruta M., Heiz U., Herzing A. A., Jin Zhang, Juselius J., Kaden W. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. I., Lee S., Li X., Li X., Li X. W., Li X. W., Long R., Lopez N., Meiwes-Broer K.-H., Moruzzi V. L., Murahashi T., Nolte P., Remediakis L., Robinson G. H., Röttgen M. A., Sanchez A., Sergeeva A. P., Sergeeva A. P., Sergeeva A. P., Sergeeva A. P., Vajda S., Valden M., Valden M., Yoon B., Zhai H.-J., Zhai Y., Zhang J., Zubarev D. Yu., Zubarev D. Yu.   +51 more
core   +1 more source

Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation

, 2003
We propose a theoretical investigation in this paper to understand the bonding and structural properties of neutral Al4Na4 and anion Al4Na3- clusters.
Kanhere, Dilip. G., Pal, Sourav, Shetty, Sharan   +2 more
core   +1 more source

Purely predictive method for density, compressibility, and expansivity for hydrocarbon mixtures and diesel and jet fuels up to high temperatures and pressures [PDF]

, 2019
This study presents a pseudo-component method using the Perturbed-Chain Statistical Associating Fluid Theory to predict density, isothermal compressibility, and the volumetric thermal expansion coefficient (expansivity) of hydrocarbon mixtures and diesel
Bamgbade, B., Gavaises, M., Gupta, A., McHugh, M. A., Moore, J., Rokni, H.   +5 more
core   +1 more source

Synthesis and Properties of NitroHPHAC: The First Example of Substitution Reaction on HPHAC

Molecules, 2020
Hexapyrrolohexaazacoronene (HPHAC) is one of the N-containing polycyclic aromatic hydrocarbons in which six pyrroles are fused circularly around a benzene.
Yoshiki Sasaki, Masayoshi Takase, Shigeki Mori, Hidemitsu Uno   +3 more
doaj   +1 more source

Theoretical Study of the Geometry of Dibenzoazepine Analogues

Molecules, 2022
The geometry of dibenzoazepine analogues—typical multifunctional drugs—was investigated to find the geometrical parameters sensitive to the substitution of the central seven-membered ring.
Małgorzata Szymańska, Irena Majerz
doaj   +1 more source