Computational structure–activity relationships in H2storage: how placement of N atoms affects release temperatures in organic liquid storage materials
Тип публикации: Journal Article
Дата публикации: 2007-05-10
scimago Q1
wos Q2
БС1
SJR: 1.037
CiteScore: 7.4
Impact factor: 4.2
ISSN: 13597345, 1364548X
PubMed ID:
17534500
Materials Chemistry
Metals and Alloys
Surfaces, Coatings and Films
General Chemistry
Ceramics and Composites
Electronic, Optical and Magnetic Materials
Catalysis
Краткое описание
DFT(B3PW91) calculations show that release of H2 is greatly favored thermodynamically in five membered rings over six and by the incorporation of N atoms into the rings, either as ring atoms or as ring substituents, particularly in 1,3 positions.
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ГОСТ
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Clot E., Eisenstein O., Crabtree R. Computational structure–activity relationships in H2storage: how placement of N atoms affects release temperatures in organic liquid storage materials // Chemical Communications. 2007. Vol. 22. pp. 2231-2233.
ГОСТ со всеми авторами (до 50)
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Clot E., Eisenstein O., Crabtree R. Computational structure–activity relationships in H2storage: how placement of N atoms affects release temperatures in organic liquid storage materials // Chemical Communications. 2007. Vol. 22. pp. 2231-2233.
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TY - JOUR
DO - 10.1039/b705037b
UR - https://doi.org/10.1039/b705037b
TI - Computational structure–activity relationships in H2storage: how placement of N atoms affects release temperatures in organic liquid storage materials
T2 - Chemical Communications
AU - Clot, Eric
AU - Eisenstein, Odile
AU - Crabtree, Robert
PY - 2007
DA - 2007/05/10
PB - Royal Society of Chemistry (RSC)
SP - 2231-2233
IS - 22
PMID - 17534500
SN - 1359-7345
SN - 1364-548X
ER -
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BibTex (до 50 авторов)
Скопировать
@article{2007_Clot,
author = {Eric Clot and Odile Eisenstein and Robert Crabtree},
title = {Computational structure–activity relationships in H2storage: how placement of N atoms affects release temperatures in organic liquid storage materials},
journal = {Chemical Communications},
year = {2007},
publisher = {Royal Society of Chemistry (RSC)},
month = {may},
url = {https://doi.org/10.1039/b705037b},
number = {22},
pages = {2231--2233},
doi = {10.1039/b705037b}
}