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Vinzenz Bachler

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2010 – 2019

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2012
[j5]
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Vinzenz Bachler:
A quantum chemical calculation on Fe(CO)5 revealing the operation of the Dewar-Chatt-Duncanson model. J. Comput. Chem. 33(24): 1936-1947 (2012)

2000 – 2009

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2009
[j4]
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Vinzenz Bachler:
Time-dependent density functional calculations on the electronic spectra of the neutral nickel complex [Ni(L^ISQ)₂] (L^ISQ = 3, 5-di-tert-butyl-o-diiminobenzosemiquinonate(1^-)) and its monoanion and dication. J. Comput. Chem. 30(13): 2087-2098 (2009)
2007
[j3]
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Vinzenz Bachler:
Orthogonal natural atomic orbitals form an appropriate one-electron basis for expanding CASSCF wave functions into localized bonding schemes and their weights. J. Comput. Chem. 28(12): 2013-2019 (2007)
2005
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Vinzenz Bachler:
The behavior of transition metal nitrido bonds towards protonation rationalized by means of localized bonding schemes and their weights. J. Comput. Chem. 26(6): 532-551 (2005)
2004
[j1]
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Vinzenz Bachler:
A simple computational scheme for obtaining localized bonding schemes and their weights from a CASSCF wave function. J. Comput. Chem. 25(3): 343-367 (2004)

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