Correlated Ab Initio and Density Functional Studies on H2 Activation by FeO
Altun, Ahmet, Breidung, Jürgen, Neese, Frank, Thiel, Walter
Published in Journal of chemical theory and computation (09.09.2014)
Published in Journal of chemical theory and computation (09.09.2014)
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Equilibrium Structures of the Phosphorus Trihalides PF3 and PCl3, and the Phosphoranes PH3F2, PF5, PCl3F2, and PCl5
Breidung, Jürgen, Thiel, Walter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.07.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.07.2019)
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On the structure of unsolvated free-base 5,10,15,20-tetra(3-pyridyl)porphyrin
Seidel, Rüdiger W., Goddard, Richard, Hoch, Constantin, Breidung, Jürgen, Oppel, Iris M.
Published in Journal of molecular structure (01.01.2011)
Published in Journal of molecular structure (01.01.2011)
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Equilibrium Structures of the Phosphorus Trihalides PF 3 and PCl 3 , and the Phosphoranes PH 3 F 2 , PF 5 , PCl 3 F 2 , and PCl 5
Breidung, Jürgen, Thiel, Walter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.07.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.07.2019)
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Journal Article
Finite-temperature effects in enzymatic reactions Insights from QM/MM free-energy simulations
Senn, Hans Martin, Kästner, Johannes, Breidung, Jürgen, Thiel, Walter
Published in Canadian journal of chemistry (01.10.2009)
Published in Canadian journal of chemistry (01.10.2009)
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Journal Article
Correlated Ab Initio and Density Functional Studies on H 2 Activation by FeO
Altun, Ahmet, Breidung, Jürgen, Neese, Frank, Thiel, Walter
Published in Journal of chemical theory and computation (09.09.2014)
Published in Journal of chemical theory and computation (09.09.2014)
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Journal Article
(Hexafluorosilicato-κ2F,F′)bis(1,10-phenanthroline-κ2N,N′)zinc(II) methanol monosolvate
Seidel, Rüdiger W., Dietz, Christina, Breidung, Jürgen, Goddard, Richard, Oppel, Iris M.
Published in Acta crystallographica. Section C, Crystal structure communications (01.10.2013)
Published in Acta crystallographica. Section C, Crystal structure communications (01.10.2013)
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A Z′=6 crystal structure of (E)-N,N′-dicyclohexylacetamidine
Krasnopolski, Michael, Seidel, Rüdiger W., Goddard, Richard, Breidung, Jürgen, Winter, Manuela V., Devi, Anjana, Fischer, Roland A.
Published in Journal of molecular structure (16.01.2013)
Published in Journal of molecular structure (16.01.2013)
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Journal Article
(Hexafluorosilicato-κ(2)F,F')bis(1,10-phenanthroline-κ(2)N,N')zinc(II) methanol monosolvate
Seidel, Rüdiger W, Dietz, Christina, Breidung, Jürgen, Goddard, Richard, Oppel, Iris M
Published in Acta crystallographica. Section C, Crystal structure communications (01.10.2013)
Published in Acta crystallographica. Section C, Crystal structure communications (01.10.2013)
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Journal Article
Bismuthine BiH3: Fact or Fiction? High-Resolution Infrared, Millimeter-Wave, and Ab Initio Studies
Jerzembeck, Wolfgang, Bürger, Hans, Constantin, Lucian, Margulès, Laurent, Demaison, Jean, Breidung, Jürgen, Thiel, Walter
Published in Angewandte Chemie (International ed.) (15.07.2002)
Published in Angewandte Chemie (International ed.) (15.07.2002)
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D3d Ground-State Structure of V(CO)6: A Combined Matrix Isolation and ab Initio Study of the Jahn−Teller Effect
BERNHARDT, Eduard, WILLNER, Helge, KORNATH, Andreas, BREIDUNG, Jürgen, BüHL, Michael, JONAS, Volker, THIEL, Walter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.02.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.02.2003)
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