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The Journal of Chemical Physics
|
July 23, 2004
Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and localized basis functions in molecular systems
Myrna H Matus, Jorge Garza, Marcelo Galván
The Journal of Physical Chemistry. B
|
February 14, 2006
Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study
Myrna H Matus, Jorge Garza, Marcelo Galván
The Journal of Physical Chemistry. A
|
July 14, 2006
Heats of formation and singlet-triplet separations of hydroxymethylene and 1-hydroxyethylidene
Myrna H Matus, Minh Tho Nguyen, David A Dixon
The Journal of Physical Chemistry. A
|
January 5, 2007
Theoretical prediction of the heats of formation of C2H5O* radicals derived from ethanol and of the kinetics of beta-C-C scission in the ethoxy radical
Myrna H Matus, Minh Tho Nguyen, David A Dixon
The Journal of Physical Chemistry. A
|
August 18, 2006
The heats of formation of diazene, hydrazine, N2H3+, N2H5+, N2H, and N2H3 and the Methyl Derivatives CH3NNH, CH3NNCH3, and CH3HNNHCH3
Myrna H Matus, Anthony J Arduengo, David A Dixon
Inorganic Chemistry
|
August 19, 2007
Heats of formation of boron hydride anions and dianions and their ammonium salts [BnHmy-][NH4+]y with y=1-2
Minh Tho Nguyen, Myrna H Matus, David A Dixon
The Journal of Physical Chemistry. A
|
February 15, 2007
Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release
Myrna H Matus, Minh Tho Nguyen, David A Dixon
The Journal of Physical Chemistry. A
|
February 2, 2010
Dehydrogenation reactions of cyclic C(2)B(2)N(2)H(12) and C(4)BNH(12) isomers
Myrna H Matus, Shih-Yuan Liu, David A Dixon
The Journal of Physical Chemistry. A
|
July 13, 2006
Substituent effects
Pratim K Chattaraj, Nelly González-Rivas, Myrna H Matus, et al.
The Journal of Physical Chemistry. A
|
December 1, 2007
Heats of formation of triplet ethylene, ethylidene, and acetylene
Minh Tho Nguyen, Myrna H Matus, William A Lester, et al.
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Search research articles
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Showing results (1-10 of 28) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
July 23, 2004
Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and localized basis functions in molecular systems
Myrna H Matus, Jorge Garza, Marcelo Galván
The Journal of Physical Chemistry. B
|
February 14, 2006
Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study
Myrna H Matus, Jorge Garza, Marcelo Galván
The Journal of Physical Chemistry. A
|
July 14, 2006
Heats of formation and singlet-triplet separations of hydroxymethylene and 1-hydroxyethylidene
Myrna H Matus, Minh Tho Nguyen, David A Dixon
The Journal of Physical Chemistry. A
|
January 5, 2007
Theoretical prediction of the heats of formation of C2H5O* radicals derived from ethanol and of the kinetics of beta-C-C scission in the ethoxy radical
Myrna H Matus, Minh Tho Nguyen, David A Dixon
The Journal of Physical Chemistry. A
|
August 18, 2006
The heats of formation of diazene, hydrazine, N2H3+, N2H5+, N2H, and N2H3 and the Methyl Derivatives CH3NNH, CH3NNCH3, and CH3HNNHCH3
Myrna H Matus, Anthony J Arduengo, David A Dixon
Inorganic Chemistry
|
August 19, 2007
Heats of formation of boron hydride anions and dianions and their ammonium salts [BnHmy-][NH4+]y with y=1-2
Minh Tho Nguyen, Myrna H Matus, David A Dixon
The Journal of Physical Chemistry. A
|
February 15, 2007
Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release
Myrna H Matus, Minh Tho Nguyen, David A Dixon
The Journal of Physical Chemistry. A
|
February 2, 2010
Dehydrogenation reactions of cyclic C(2)B(2)N(2)H(12) and C(4)BNH(12) isomers
Myrna H Matus, Shih-Yuan Liu, David A Dixon
The Journal of Physical Chemistry. A
|
July 13, 2006
Substituent effects
Pratim K Chattaraj, Nelly González-Rivas, Myrna H Matus, et al.
The Journal of Physical Chemistry. A
|
December 1, 2007
Heats of formation of triplet ethylene, ethylidene, and acetylene
Minh Tho Nguyen, Myrna H Matus, William A Lester, et al.
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of 3