Results 71 to 80 of about 51,702 (181)

Computer simulations of dynamical properties of fluids: atomistic-continuum hybrid methods [PDF]

open access: yes, 2010
Computational methods for the calculation of dynamical properties of fluids might consider the system as a continuum or as an assembly of molecules. Molecular dynamics (MD) simulation includes molecular resolution, whereas computational fluid dynamics ...
COSTA, Luciano T., RIBEIRO, Mauro C. C.
core   +2 more sources

El cambio climático y la química computacional: una perspectiva molecular

open access: yesRevista de Química, 2017
Ante la evidente necesidad de comprender los frecuentes cambios negativos que experimenta el planeta Tierra en los suelos, los ríos y la atmosfera y con la idea de intentar mitigar el cambio climático, aparece la química computacional como una rama de ...
Cristian Buendía-Atencio   +1 more
doaj  

Molecular Electrocatalyst Enables Direct Electrochemical Capture and Conversion of CO2 up to Atmospheric Concentration

open access: yesAngewandte Chemie, Volume 138, Issue 10, 2 March 2026.
A molecular manganese electrocatalyst enables the direct electrochemical capture and conversion of dilute CO2 (1% – 0.2%) to CO with nearly unit Faradaic efficiency, achieving high efficiency even at atmospheric concentrations (420 ppm). By bypassing energy‐intensive pre‐concentration steps, this integrated approach highlights a sustainable pathway for
Mattia Vettori   +6 more
wiley   +1 more source

Shortcut to Highly Fluorescent Perylene Derivatives: From Fluoranthene Fissure‐Coupling to Late‐Stage Aromatic Extension

open access: yesChemistryEurope
Access to extended perylene‐based nanographenes (NGs) is severely limited and involves tedious multi‐step synthetic procedures. Here a two‐step synthesis shortcut to highly soluble, bent, and extended perylene‐based NGs from a nonperylene aromatic ...
Lorena Capdevila   +8 more
doaj   +1 more source

A reação atmosférica entre dimetil-sulfóxido e radicais cloro [PDF]

open access: yes, 2004
TCC (graduação) - Universidade Federal de Santa Catarina. Centro de Ciências Físicas e Matemáticas. Curso de Química.Nos últimos anos, a química atmosférica dos compostos de enxofre tem recebido especial atenção devido à recente identificação da sua ...
VANDRESEN, Solange
core  

Economic potential of the oil palm (Elaeis guineensis Jacq)

open access: yesAgronomía Mesoamericana, 2017
The objective of this research was to highlight the economic importance of the optimal use of products and byproducts of oil palm. In Colombia, productive crops per hectare can generate, over one year, an average of 3.14 tons of oil, and up to 21.68 t of
Juan Sierra Márquez   +2 more
doaj   +1 more source

cálculo teórico dos produtos de reação entre dimetil-sulfóxido e radicais oh na atmosfera [PDF]

open access: yes, 2004
TCC (graduação) - Universidade Federal de Santa Catarina. Centro de Ciências Físicas e Matemáticas. Curso de Química.As principais fontes de emissão natural de enxofre para o meio ambiente são as erupções vulcânicas e a degradação da matéria orgânica ...
BONA, Jaqueline Ceolin de
core  

Reconfigurable Magnetic Soft Microrobot for Acoustically Triggered Targeted Bacterial Sterilization

open access: yesAdvanced Functional Materials, Volume 36, Issue 24, 23 March 2026.
Reconfigurable magnetic soft microrobots integrate in situ‐grown piezoelectric zinc oxide nanorods that produce reactive oxygen species upon acoustic excitation. Combining magnetically guided transport with thermally induced planar reconfiguration, the microrobots achieve targeted delivery and enhanced bacterial sterilization through efficient on ...
Quan Gao   +12 more
wiley   +1 more source

Predicting Pt-195 NMR Chemical Shift in Pt(II)-Sn(II) Complexes

open access: yesMagnetochemistry
Platinum chemistry covers a wide range of applications, including homogeneous and heterogeneous catalysis as well as cancer therapy. Numerous Pt complexes have been synthesized and studied in recent years, with NMR spectroscopy serving as the primary ...
Milena A. Pereira   +3 more
doaj   +1 more source

GUÍA DE EVALUACIÓN DE LA UNIDAD DE APRENDIZAJE DE DISEÑO DE EXPERIMENTOS [PDF]

open access: yes, 2017
GUÍA DE EVALUACIÓN DEL ...
ARRIZABALAGA REYNOSO ANA MARGARITA
core  

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