author = "Elguero, José"

Encontrado 964 documentos, página mostrada 1 de 97

Polymorphism and desmotropy in heterocyclic crystal structures

Author(s): Elguero, José
Description: There is some confusion about concepts such as polymorphism, tautomerism, tautomeric polymorphism, and desmotropy. This perspective review tries to clarify them by defining their boundaries. Most examples are from heterocyclic compounds and differentiate between NH/OH tautomers (fast prototropy) and...
Language(s): Inglés

La química española: 2005-2020

Author(s): Elguero, José
Description: [EN] The article tries to describe the present situation of chemistry in Spain as well as to point out to some possible developments. , [ES] El artículo trata de describir la situación actual de la química en España apuntando algunos posibles desarrollos. , Peer reviewed
Language(s): Español

Spanish chemistry: 2005-2020 | La química Española: 2005-2020

Author(s): Elguero, José
Description: The article try to describe the present situation of chemistry in Spain as well as to point out to some possible developments. , Peer Reviewed
Language(s): Inglés

La química española: 2005-2020

Author(s): Elguero, José
Description: The article try to describe the present situation of chemistry in Spain as well as to point out to some possible developments. , El artículo trata de describir la situación actual de la química en España apuntando algunos posibles desarrollos.
Language(s): Español

La química española: 2005-2020

Author(s): Elguero, José
Description: [EN] The article tries to describe the present situation of chemistry in Spain as well as to point out to some possible developments. , [ES] El artículo trata de describir la situación actual de la química en España apuntando algunos posibles desarrollos. , Peer reviewed
Language(s): Español

Spanish chemistry: 2005-2020 | La química Española: 2005-2020

Author(s): Elguero, José
Description: The article try to describe the present situation of chemistry in Spain as well as to point out to some possible developments. , Peer Reviewed
Language(s): Inglés

Polymorphism and desmotropy in heterocyclic crystal structures

Author(s): Elguero, José
Description: There is some confusion about concepts such as polymorphism, tautomerism, tautomeric polymorphism, and desmotropy. This perspective review tries to clarify them by defining their boundaries. Most examples are from heterocyclic compounds and differentiate between NH/OH tautomers (fast prototropy) and...
Language(s): Inglés

Cation dinitrogen complexes [N2⋯X⋯N2]+, X+=H+, Li+, Na+, Be2+, Mg2+

Description: The complexes of dinitrogen with five cations (H+, Li+, Na+, Be2+ and Mg2+) up to four N2 molecules have been calculated at the MP2/6-311++G(d,p) level. Energetic and geometric aspects have been determined together with absolute shieldings (GIAO). The atoms in molecules methodology has been used to ...
Language(s): Inglés

The relative stability of pyridinium and 1,7-diaza[12]annulenium quaternary salts

Description: Theoretical calculations (energies and chemical shifts) at the B3LYP/6-311++G(d,p) level confirm that the compounds described as 1,7-diaza[12]annulenium quaternary salts are in fact pyridinium quaternary salts. © 2008 Elsevier Ltd. All rights reserved. , Peer Reviewed
Language(s): Inglés

Polyynes vs. cumulenes: Their possible use as molecular wires

Description: Polyynes and cumulenes from 2-12 atoms have been calculated at the B3LYP/6-311++G** level and their energies compared using an isodesmic reaction. The chain length has been modeled empirically affording an equation that predicts substantial variation for long chains. © 2005 Springer Science+Business...
Language(s): Inglés

Encontrado 964 documentos, página mostrada 1 de 97

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