Results 251 to 260 of about 30,351 (277)

Nitrogenase: a general hydrogenator of small molecules

Chemical Communications, 2013
Nitrogenase naturally converts N2 to NH3, but it also hydrogenates a variety of small molecules, in many cases requiring multiple electrons plus protons for each catalytic cycle. A general mechanism, arising from many density functional calculations and simulations, is proposed to account for all of these reactions.
openaire   +2 more sources

A Small Molecule for Controlled Generation of Peroxynitrite

Organic Letters, 2016
2-Methyl-3-[1-(N,N-dimethylamino)diazen-1-ium-1,2-diol-2-ato-methyl]-naphthalene-1,4-dione 1 (HyPR-1), a small molecule containing a superoxide generator strategically linked to a diazeniumdiolate-based nitric oxide donor, is reported. Evidence for HyPR-1's ability to generate peroxynitrite in the presence of an enzyme as well as enhance peroxynitrite ...
Vinayak S, Khodade, Apoorva, Kulkarni, Ayantika, Sen Gupta, Kundan, Sengupta, Harinath, Chakrapani   +4 more
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General methods for the construction of complex molecules

Pure and Applied Chemistry, 1967
Abstract
openaire   +1 more source

ChemTSv2 : Functional molecular design using de novo molecule generator

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2023
Shōichi Ishida, Masato Sumita, Michio Katouda   +2 more
exaly  

The (generalized) hydrogen rule for organic molecules

Journal of Mass Spectrometry, 2019
Jürgen Claesen, Dirk Valkenborg, Tomasz Burzykowski   +2 more
openaire   +2 more sources

Accurate Gaussian basis sets for the H2O molecule generated with the molecular improved generator coordinate Hartree–Fock method

Computational and Theoretical Chemistry, 2004
Eduardo Perini Muñíz, F E Jorge
exaly  

Gaussian basis sets for CO2 molecule generated with the molecular improved generator coordinate Hartree?Fock method

Theoretical Chemistry Accounts, 2005
Eduardo Perini Muñíz, F E Jorge
exaly  

An All-Photonic Molecule-Based Parity Generator/Checker for Error Detection in Data Transmission

Journal of the American Chemical Society, 2013
Shiming Li, Jesper R Nilsson, Joakim Andréasson   +2 more
exaly  

Pure spin thermoelectric generator based on a rashba quantum dot molecule

Journal of Applied Physics, 2011
Yushen Liu, Feng Chi, Liu Yu-Shen
exaly  

Extension of the basis generator method for application to laser-molecule interactions

Physical Review A, 2009
L Fernández-Menchero, T Kirchner, H J Ludde   +2 more
exaly