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Marcos, Enrique, Anglada, Josep M., Crehuet, Ramon (2008) Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?. Physical Chemistry Chemical Physics, 10 (18). 2442pp. doi:10.1039/b719792f

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Reference TypeJournal (article/letter/editorial)
TitleDescription of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?
JournalPhysical Chemistry Chemical Physics
AuthorsMarcos, EnriqueAuthor
Anglada, Josep M.Author
Crehuet, RamonAuthor
Year2008Volume10
Issue18
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b719792fSearch in ResearchGate
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Mindat Ref. ID4010488Long-form Identifiermindat:1:5:4010488:3
GUID0
Full ReferenceMarcos, Enrique, Anglada, Josep M., Crehuet, Ramon (2008) Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?. Physical Chemistry Chemical Physics, 10 (18). 2442pp. doi:10.1039/b719792f
Plain TextMarcos, Enrique, Anglada, Josep M., Crehuet, Ramon (2008) Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?. Physical Chemistry Chemical Physics, 10 (18). 2442pp. doi:10.1039/b719792f
In(2008) Physical Chemistry Chemical Physics Vol. 10 (18) Royal Society of Chemistry (RSC)

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Anglada, Josep M., Bo, Carles, Bofill, Josep M., Crehuet, Ramon, Poblet, Josep M. (1999) Inductive Effects in Neutral Pentacoordinated Silicon Compounds Containing a Si ← N Dative Bond. A Theoretical Study. Organometallics, 18. 5584-5593 doi:10.1021/om9904697
Anglada, Josep M.; Crehuet, Ramon; Martins-Costa, Marilia T. C.; Francisco, Joseph S.; Ruiz-López, Manuel F. (2025) The reaction of sulfenic acids with OH and HO2 radicals in different environments. Physical Chemistry Chemical Physics, 27 (17). doi:10.1039/d4cp04106b
Anglada, Josep M., Crehuet, Ramon, Martins-Costa, Marilia, Francisco, Joseph S., Ruiz-López, Manuel (2017) The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor. Physical Chemistry Chemical Physics, 19 (19). 12331-12342 doi:10.1039/c7cp01976a
Mehta, Nisha, Casanova-Páez, Marcos, Goerigk, Lars (2018) Semi-empirical or non-empirical double-hybrid density functionals: which are more robust?. Physical Chemistry Chemical Physics, 20 (36). 23175-23194 doi:10.1039/c8cp03852j
Anglada, Josep M., Crehuet, Ramon, Adhikari, Sarju, Francisco, Joseph S., Xia, Yu (2018) Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer. Physical Chemistry Chemical Physics, 20 (7). 4793-4804 doi:10.1039/c7cp07570g
Crehuet, Ramon, Anglada, Josep M., Cremer, Dieter, Bofill, Josep M. (2002) Reaction Modes of Carbonyl Oxide, Dioxirane, and Methylenebis(oxy) with Ethylene:  A New Reaction Mechanism. The Journal of Physical Chemistry A, 106 (15). 3917-3929 doi:10.1021/jp0142031
Anglada, Josep M., Crehuet, Ramon, Francisco, Joseph S. (2016) The Stability of α-Hydroperoxyalkyl Radicals. Chemistry - A European Journal, 22 (50). 18092-18100 doi:10.1002/chem.201604499
Cremer, Dieter, Crehuet, Ramon, Anglada, Josep (2001) The Ozonolysis of AcetyleneA Quantum Chemical Investigation. Journal Of The American Chemical Society, 123 (25) 6127-6141 doi:10.1021/ja010166f
Sanchez-Martinez, Melchor, Marcos, Enrique, Tauler, Romà, Field, Martin, Crehuet, Ramon (2013) Conformational Compression and Barrier Height Heterogeneity in theN-Acetylglutamate Kinase. The Journal of Physical Chemistry B, 117 (46). 14261-14272 doi:10.1021/jp407016v
Anglada, Josep M., Crehuet, Ramon, Bofill, Josep Maria (1999) The Ozonolysis of Ethylene: A Theoretical Study of the Gas-Phase Reaction Mechanism. Chemistry - A European Journal, 5 (6). 1809-1822 doi:10.1002/(sici)1521-3765(19990604)5:6<1809::aid-chem1809>3.0.co;2-n
Anglada, Josep M., Crehuet, Ramon, Solé, Albert (2019) The gas phase oxidation of HCOOH by Cl and NH2 radicals. Proton coupled electron transfer versus hydrogen atom transfer. Molecular Physics, 117. 1430-1441 doi:10.1080/00268976.2018.1554829
 
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