On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
Limacher, Peter A, Mikkelsen, Kurt V, Lüthi, Hans Peter
Published in The Journal of chemical physics (21.05.2009)
Published in The Journal of chemical physics (21.05.2009)
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Journal Article
The solvent effect on two competing reaction mechanisms involving hypervalent iodine reagents (λ(3)-iodanes): facing the limit of the stationary quantum chemical approach
Sala, Oliver, Lüthi, Hans Peter, Togni, Antonio
Published in Journal of computational chemistry (05.11.2014)
Published in Journal of computational chemistry (05.11.2014)
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Journal Article
Dividing a complex reaction involving a hypervalent iodine reagent into three limiting mechanisms by ab initio molecular dynamics
Sala, Oliver, Lüthi, Hans Peter, Togni, Antonio, Iannuzzi, Marcella, Hutter, Jürg
Published in Journal of computational chemistry (30.04.2015)
Published in Journal of computational chemistry (30.04.2015)
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Journal Article
S-Trifluoromethylation of Thiols by Hypervalent Iodine Reagents: A Joint Experimental and Computational Study
Sala, Oliver, Santschi, Nico, Jungen, Stefan, Lüthi, Hans Peter, Iannuzzi, Marcella, Hauser, Nicole, Togni, Antonio
Published in Chemistry : a European journal (26.01.2016)
Published in Chemistry : a European journal (26.01.2016)
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The Mechanism of Spectral Shift and Inhomogeneous Broadening of an Aromatic Chromophore in a Polymer Glass
Leontidis, Epameinondas, Suter, Ulrich W, Schuetz, Martin, Luethi, Hans-Peter, Renn, Alois, Wild, Urs P
Published in Journal of the American Chemical Society (01.07.1995)
Published in Journal of the American Chemical Society (01.07.1995)
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Significant Substituent Effect on the Anomerization of Pyranosides: Mechanism of Anomerization and Synthesis of a 1,2-cis Glucosamine Oligomer from the 1,2-trans Anomer
Manabe, Shino, Satoh, Hiroko, Hutter, Jürg, Lüthi, Hans Peter, Laino, Teodoro, Ito, Yukishige
Published in Chemistry : a European journal (03.01.2014)
Published in Chemistry : a European journal (03.01.2014)
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Journal Article
A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional
Borini, Stefano, Limacher, Peter A, Lüthi, Hans Peter
Published in The Journal of chemical physics (28.09.2009)
Published in The Journal of chemical physics (28.09.2009)
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Journal Article
Low-Barrier Pathway for endo-Cleavage Induced Anomerization of Pyranosides with N-Benzyl-2,3-trans-oxazolidinone Groups
Satoh, Hiroko, Hutter, Juerg, Luethi, Hans Peter, Manabe, Shinto, Ishii, Kazuyuki, Ito, Yukishige
Published in European journal of organic chemistry (01.03.2009)
Published in European journal of organic chemistry (01.03.2009)
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Journal Article
Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties
Ramsaywack, Sharwatie, Karaca, Sila, Gholami, Mojtaba, Murray, Adrian H, Hampel, Frank, McDonald, Robert, Elmaci, Nuran, Lüthi, Hans Peter, Tykwinski, Rik R
Published in Journal of organic chemistry (07.11.2014)
Published in Journal of organic chemistry (07.11.2014)
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Journal Article
Introduction to proceedings of Molecular Quantum Mechanics 2013: electron correlation: the many-body problem at the heart of chemistry
Head-Gordon, Martin, Lüthi, Hans Peter, Gauss, Jürgen, Schaefer, Henry F., Stanton, John F.
Published in Molecular physics (19.03.2014)
Published in Molecular physics (19.03.2014)
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Journal Article
2,3-Diphenylbutadiene and Donor−Acceptor Functionalized Derivatives: Exploring the Competition between Conjugation Paths in Branched π-Systems
Limacher, Peter A, Lüthi, Hans Peter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.04.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.04.2008)
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