Accurate Semiexperimental Structure of 1,3,4-Oxadiazole by the Mixed Estimation Method
Demaison, Jean, Jahn, Michaela K, Cocinero, Emilio J, Lesarri, Alberto, Grabow, Jens-Uwe, Guillemin, Jean-Claude, Rudolph, Heinz Dieter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2013)
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Journal Article
Deformation of the benzene ring upon fluorination: equilibrium structures of all fluorobenzenes
Demaison, Jean, Rudolph, Heinz Dieter, Császár, Attila G.
Published in Molecular physics (01.07.2013)
Published in Molecular physics (01.07.2013)
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Journal Article
Semiexperimental Equilibrium Structure of the Lower Energy Conformer of Glycidol by the Mixed Estimation Method
Demaison, Jean, Craig, Norman C, Conrad, Andrew R, Tubergen, Michael J, Rudolph, Heinz Dieter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
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Journal Article
How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide
Demaison, Jean, Vogt, Natalja, Saragi, Rizalina Tama, Juanes, Marcos, Rudolph, Heinz Dieter, Lesarri, Alberto
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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Journal Article
Equilibrium Structures of Three‑, Four‑, Five‑, Six-, and Seven-Membered Unsaturated N‑Containing Heterocycles
Császár, Attila G, Demaison, Jean, Rudolph, Heinz Dieter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.03.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.03.2015)
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Journal Article
Cover Feature: The S−S Bridge: A Mixed Experimental‐Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide (ChemPhysChem 3/2019)
Demaison, Jean, Vogt, Natalja, Saragi, Rizalina Tama, Juanes, Marcos, Rudolph, Heinz Dieter, Lesarri, Alberto
Published in Chemphyschem (04.02.2019)
Published in Chemphyschem (04.02.2019)
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Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane
Vogt, Natalja, Demaison, Jean, Rudolph, Heinz Dieter, Juanes, Marcos, Fernández, Jairo, Lesarri, Alberto
Published in The Journal of chemical physics (14.02.2018)
Published in The Journal of chemical physics (14.02.2018)
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Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexaneElectronic supplementary information (ESI) available: Tables S1-S21. See DOI: 10.1039/c7cp06135h
Juanes, Marcos, Vogt, Natalja, Demaison, Jean, León, Iker, Lesarri, Alberto, Rudolph, Heinz Dieter
Year of Publication 08.11.2017
Year of Publication 08.11.2017
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A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of thymine from microwave rotational constants and coupled-cluster computations
Vogt, Natalja, Demaison, Jean, Ksenafontov, Denis N., Rudolph, Heinz Dieter
Published in Journal of molecular structure (05.11.2014)
Published in Journal of molecular structure (05.11.2014)
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Journal Article