Publications by authors named "Jean Demaison"

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Equilibrium Structures of Propane and 2,2-Difluoropropane and Comparison with Other Two-Top Molecules.
Jean Demaison, Natalja Vogt, Agnès Perrin

Molecules· October 2024

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Cyano-Polycyclic Aromatic Hydrocarbon Interstellar Candidates: Laboratory Identification, Equilibrium Structure and Astronomical Search of Cyanobiphenylene.
Carlos Cabezas, Jesús Janeiro, Dolores Pérez, Wenqin Li, Marcelino Agúndez, Jean Demaison

J Phys Chem Lett· July 2024

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Equilibrium Values for the Si-H Bond Length and Equilibrium Structures of Silyl Iodide and Halosilylenes.
Jean Demaison, Jacques Liévin

Molecules· June 2024

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Equilibrium structures of selenium compounds: The torsionally flexible molecule of selenophenol.
Wenqin Li, Rizalina Tama Saragi, Marcos Juanes, Jean Demaison, Natalja Vogt

J Chem Phys· July 2023

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Determination of the semiexperimental equilibrium structure of 2-acetylthiophene in the presence of methyl internal rotation and substituent effects compared to thiophene.
Christina Dindić, Jil Ludovicy, Vladimir Terzi, Arne Lüchow, Natalja Vogt, Jean Demaison

Phys Chem Chem Phys· February 2022

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Equilibrium Structure in the Presence of Methyl Internal Rotation: Microwave Spectroscopy and Quantum Chemistry Study of the Two Conformers of 2-Acetylfuran.
Christina Dindić, Arne Lüchow, Natalja Vogt, Jean Demaison, Ha Vinh Lam Nguyen

J Phys Chem A· June 2021

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How accurate is the determination of equilibrium structures for van der Waals complexes? The dimer NO⋯CO as an example.
Jean Demaison, Natalja Vogt, Yan Jin, Rizalina Tama Saragi, Marcos Juanes

J Chem Phys· May 2021

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Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium.
Aran Insausti, Elena R Alonso, Belen Tercero, José I Santos, Camilla Calabrese, Jean Demaison

J Phys Chem Lett· February 2021

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The puzzling hyper-fine structure and an accurate equilibrium geometry of succinic anhydride.
Michaela K Jahn, Daniel A Obenchain, K P Rajappan Nair, Jens-Uwe Grabow, Natalja Vogt, Jean Demaison

Phys Chem Chem Phys· March 2020

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How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide.
Jean Demaison, Natalja Vogt, Rizalina Tama Saragi, Marcos Juanes, Heinz Dieter Rudolph

Phys Chem Chem Phys· September 2019

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The S-S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide.
Jean Demaison, Natalja Vogt, Rizalina Tama Saragi, Marcos Juanes, Heinz Dieter Rudolph

Chemphyschem· February 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.
Natalja Vogt, Jean Demaison, Heinz Dieter Rudolph, Marcos Juanes, Jairo Fernández

J Chem Phys· February 2018

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N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine.
Montserrat Vallejo-López, Patricia Écija, Natalja Vogt, Jean Demaison, Alberto Lesarri

Chemistry· November 2017

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Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane.
Marcos Juanes, Natalja Vogt, Jean Demaison, Iker León, Alberto Lesarri

Phys Chem Chem Phys· November 2017

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Fourier Transform Microwave Spectrum of Propene-3-d (CH═CHCHD), Quadrupole Coupling Constants of Deuterium, and a Semiexperimental Equilibrium Structure of Propene.
Jean Demaison, Norman C Craig, Ranil Gurusinghe, Michael J Tubergen, Heinz Dieter Rudolph

J Phys Chem A· April 2017

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The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations.
Natalja Vogt, Jean Demaison, Emilio J Cocinero, Patricia Écija, Alberto Lesarri

Phys Chem Chem Phys· June 2016

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Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH.
Natalja Vogt, Jean Demaison, Heinz Dieter Rudolph, Agnès Perrin

Phys Chem Chem Phys· November 2015

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Accurate equilibrium structures for piperidine and cyclohexane.
Jean Demaison, Norman C Craig, Peter Groner, Patricia Écija, Emilio J Cocinero

J Phys Chem A· March 2015

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Equilibrium structures of three-, four-, five-, six-, and seven-membered unsaturated N-containing heterocycles.
Attila G Császár, Jean Demaison, Heinz Dieter Rudolph

J Phys Chem A· March 2015

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Electron delocalization in polyenes: a semiexperimental equilibrium structure for (3E)-1,3,5-hexatriene and theoretical structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-octatetraene.
Norman C Craig, Jean Demaison, Peter Groner, Heinz Dieter Rudolph, Natalja Vogt

J Phys Chem A· January 2015

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Why it is sometimes difficult to determine the accurate position of a hydrogen atom by the semiexperimental method: structure of molecules containing the OH or the CH3 group.
Natalja Vogt, Jean Demaison, Jürgen Vogt, Heinz Dieter Rudolph

J Comput Chem· December 2014

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Accurate determination of the deformation of the benzene ring upon substitution: equilibrium structures of benzonitrile and phenylacetylene.
Heinz Dieter Rudolph, Jean Demaison, Attila G Császár

J Phys Chem A· December 2013

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Semiexperimental equilibrium structures for cis,cis- and trans,trans-1,4-difluorobutadiene by the mixed estimation method and definitive relative energies of the isomers.
Jean Demaison, Attila G Császár, Peter Groner, Heinz Dieter Rudolph, Norman C Craig

J Phys Chem A· December 2013

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Microwave spectra of the deuterium isotopologues of cis-hexatriene and a semiexperimental equilibrium structure.
Norman C Craig, Yihui Chen, Hannah A Fuson, Hengfeng Tian, Herman van Besien, Jean Demaison

J Phys Chem A· October 2013

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Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method.
Jean Demaison, Michaela K Jahn, Emilio J Cocinero, Alberto Lesarri, Jens-Uwe Grabow

J Phys Chem A· March 2013

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