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Kim, Dongsup, Klein, Michael L. (1999) Liquid Hydrogen Fluoride with an Excess Proton:  Ab Initio Molecular Dynamics Study of a Superacid. Journal Of The American Chemical Society, 121 (48) 11251-11252 doi:10.1021/ja993098u

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Reference TypeJournal (article/letter/editorial)
TitleLiquid Hydrogen Fluoride with an Excess Proton:  Ab Initio Molecular Dynamics Study of a Superacid
JournalJournal Of The American Chemical Society
AuthorsKim, DongsupAuthor
Klein, Michael L.Author
Year1999 (December)Volume121
Issue48
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja993098uSearch in ResearchGate
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Mindat Ref. ID1553250Long-form Identifiermindat:1:5:1553250:7
GUID0
Full ReferenceKim, Dongsup, Klein, Michael L. (1999) Liquid Hydrogen Fluoride with an Excess Proton:  Ab Initio Molecular Dynamics Study of a Superacid. Journal Of The American Chemical Society, 121 (48) 11251-11252 doi:10.1021/ja993098u
Plain TextKim, Dongsup, Klein, Michael L. (1999) Liquid Hydrogen Fluoride with an Excess Proton:  Ab Initio Molecular Dynamics Study of a Superacid. Journal Of The American Chemical Society, 121 (48) 11251-11252 doi:10.1021/ja993098u
In(1999, December) Journal Of The American Chemical Society Vol. 121 (48) American Chemical Society (ACS)

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Kim, Dongsup, Klein, Michael L. (2000) Ab Initio Molecular Dynamics Study of the Superacid System SbF5/HF Solution. The Journal of Physical Chemistry B, 104 (43). 10074-10079 doi:10.1021/jp002619t
Kim, Dongsup, Klein, Michael L (1999) Ab initio study of BF3+(HF)1–7 clusters. Chemical Physics Letters, 308. 235-241 doi:10.1016/s0009-2614(99)00613-2
Raugei, Simone, Klein, Michael L. (2002) Hydrocarbon Reactivity in the Superacid SbF5/HF:  an ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry B, 106 (44). 11596-11605 doi:10.1021/jp026395l
Bhargava, B. L., Yasaka, Yoshiro, Klein, Michael L. (2011) Hydrogen Evolution from Formic Acid in an Ionic Liquid Solvent: A Mechanistic Study by ab Initio Molecular Dynamics. The Journal of Physical Chemistry B, 115 (48). 14136-14140 doi:10.1021/jp204007w
Raugei, Simone, Klein, Michael L. (2001) Dynamics of Water Molecules in the Br-Solvation Shell:  An ab Initio Molecular Dynamics Study. Journal Of The American Chemical Society, 123 (38) 9484-9485 doi:10.1021/ja011030k
Laasonen, Kari, Klein, Michael L. (1994) Ab Initio Molecular Dynamics Study of Hydrochloric Acid in Water. Journal Of The American Chemical Society, 116 (25) 11620-11621 doi:10.1021/ja00104a073
Ivanov, Ivaylo, Klein, Michael L. (2005) Dynamical Flexibility and Proton Transfer in the Arginase Active Site Probed by ab Initio Molecular Dynamics. Journal Of The American Chemical Society, 127 (11) 4010-4020 doi:10.1021/ja043693i
Raugei, Simone, Klein, Michael L. (2002) Structure of the strongly associated liquid antimony pentafluoride: An ab initio molecular dynamics study. The Journal of Chemical Physics, 116 (16). 7087-7093 doi:10.1063/1.1463436
Raugei, Simone, Klein, Michael L. (2001) Ab Initio Molecular Dynamics Investigation of the Formyl Cation in the Superacid SbF5/HF. The Journal of Physical Chemistry B, 105 (34). 8212-8219 doi:10.1021/jp0106855
Roethlisberger, Ursula, Klein, Michael L. (1995) Ab Initio Molecular Dynamics Investigation of Singlet C2H2Li2: Determination of the Ground State Structure and Observation of LiH Intermediates. Journal Of The American Chemical Society, 117 (1) 42-48 doi:10.1021/ja00106a005
Papoian, Garegin A., DeGrado, William F., Klein, Michael L. (2003) Probing the Configurational Space of a Metalloprotein Core:  An ab Initio Molecular Dynamics Study of Duo Ferro 1 Binuclear Zn Cofactor. Journal Of The American Chemical Society, 125 (2) 560-569 doi:10.1021/ja028161l
 
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