Abstracts of the 13th Annual Meeting of Israel Society for Neuroscience
, 2005 Neural Plasticity, Volume 12, Issue 1, Page 1-68, 2005.
wiley +1 more source
, 2018 The copper metalation of azomethine ylides (AYs) in [3 + 2] cycloaddition (32CA) reactions with electron-deficient ethylenes has been studied within the Molecular Electron Density Theory (MEDT) at the MPWB1K/6-311G(d,p) level, in order to shed light on ...
Patricia Pérez (1976638) +2 more
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MoleculesSchiff bases are compounds that are widely distributed in nature and have practical value for industry and biomedicine. Another important use of Schiff bases is identifying metal ions and different molecules, including proteins.
Maksim N. Zavalishin +2 more
doaj +1 more source
Nonthermal phase transitions in semiconductors induced by a femtosecond extreme ultraviolet laser pulse [PDF]
, 2013 Part of Focus on High Energy Density Physics. In this paper, we present a novel theoretical approach, which allows the study of nonequilibrium dynamics of both electrons and atoms/ions within free-electron laser excited semiconductors at femtosecond time
Jeschke, H. O. +3 more
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Unveiling the Regioselectivity in Electrophilic Aromatic Substitution Reactions of Deactivated Benzenes through Molecular Electron Density Theory. [PDF]
The origin of the meta regioselectivity in electrophilic aromatic substitution (EAS) reactions of deactivated benzene derivatives is herein analysed through Molecular Electron Density Theory (MEDT).To this end, the EAS reaction of benzenesulfonic acid ...
Aurell, María José +2 more
core
Ring closing reaction in diarylethene captured by femtosecond electron crystallography [PDF]
, 2013 The photoinduced ring closing reaction in diarylethene, which serves as a modelsystem for understanding reactive crossings through conical intersections, was directly observed with atomic resolution using femtosecond electron diffraction.
Liu, Lai Chung +15 more
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, 2011 Density Functional Theory Study on Electron and Hole Transport Properties of Organic Pentacene Derivatives with Electron-Withdrawing SubstituentAttaching electron-withdrawing substituent to organic conjugated molecules is considered as an effective ...
Wen, Shu-Hao +8 more
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Estudo teórico sobre o efeito de substituintes na estrutura eletrônica de supermoléculas com múltiplas ligações de hidrogênio intermoleculares [PDF]
, 2013 Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Química, Florianópolis, 2013Sistemas que se conectam através de múltiplas ligações de hidrogênio são a pedra angular ...
Lopez, Alfredo Henrique Duarte
core
A density-temperature description of the outer electron radiation belt during geomagnetic storms [PDF]
, 2010 Bi-Maxwellian fits are made to energetic-electron flux measurements from seven satellites in geosynchronous orbit, yielding a number density (n) and temperature (T) description of the outer electron radiation belt.
Denton, Michael H. +2 more
core +3 more sources
A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with ketenes [PDF]
, 2017 The [3 + 2] cycloaddition (32CA) reaction between nitrones and ketenes has been studied within the Molecular Electron Density Theory (MEDT) at the Density Functional Theory (DFT) MPWB1K/6-311G(d,p) computational level.
Tomás Tejero +14 more
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