| Year |
Citation |
Score |
| 2019 |
Demaison J, Vogt N, Saragi RT, Juanes M, Rudolph HD, Lesarri A. How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide. Physical Chemistry Chemical Physics : Pccp. PMID 31192318 DOI: 10.1039/c9cp02508a |
0.55 |
|
| 2018 |
Demaison J, Vogt N, Saragi RT, Juanes M, Rudolph HD, Lesarri A. The S-S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30476349 DOI: 10.1002/cphc.201800973 |
0.588 |
|
| 2018 |
Vogt N, Demaison J, Rudolph HD, Juanes M, Fernández J, Lesarri A. Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane. The Journal of Chemical Physics. 148: 064306. PMID 29448780 DOI: 10.1063/1.5018053 |
0.603 |
|
| 2017 |
Juanes M, Vogt N, Demaison J, León I, Lesarri A, Rudolph HD. Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane. Physical Chemistry Chemical Physics : Pccp. 19: 29162-29169. PMID 29086779 DOI: 10.1039/c7cp06135h |
0.653 |
|
| 2017 |
Demaison J, Craig NC, Gurusinghe R, Tubergen MJ, Rudolph HD, Coudert LH, Szalay PG, Császár AG. Fourier Transform Microwave Spectrum of Propene-3-d1 (CH2═CHCH2D), Quadrupole Coupling Constants of Deuterium, and a Semiexperimental Equilibrium Structure of Propene. The Journal of Physical Chemistry. A. PMID 28368600 DOI: 10.1021/Acs.Jpca.7B01470 |
0.515 |
|
| 2016 |
Vogt N, Demaison J, Cocinero EJ, Écija P, Lesarri A, Rudolph HD, Vogt J. The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations. Physical Chemistry Chemical Physics : Pccp. 18: 15555-63. PMID 27212641 DOI: 10.1039/c6cp01842d |
0.655 |
|
| 2015 |
Vogt N, Demaison J, Rudolph HD, Perrin A. Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH. Physical Chemistry Chemical Physics : Pccp. 17: 30440-9. PMID 26509480 DOI: 10.1039/c5cp05444c |
0.593 |
|
| 2015 |
Craig NC, Demaison J, Groner P, Rudolph HD, Vogt N. 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. The Journal of Physical Chemistry. A. 119: 195-204. PMID 25465856 DOI: 10.1021/Jp510237H |
0.559 |
|
| 2015 |
Császár AG, Demaison J, Rudolph HD. Equilibrium structures of three-, four-, five-, six-, and seven-membered unsaturated N-containing heterocycles. The Journal of Physical Chemistry. A. 119: 1731-46. PMID 25340501 DOI: 10.1021/jp5084168 |
0.543 |
|
| 2015 |
Demaison J, Craig NC, Groner P, Écija P, Cocinero EJ, Lesarri A, Rudolph HD. Accurate equilibrium structures for piperidine and cyclohexane. The Journal of Physical Chemistry. A. 119: 1486-93. PMID 25000518 DOI: 10.1021/Jp505765T |
0.624 |
|
| 2014 |
Vogt N, Demaison J, Vogt J, Rudolph HD. 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. Journal of Computational Chemistry. 35: 2333-42. PMID 25327903 DOI: 10.1002/jcc.23758 |
0.555 |
|
| 2013 |
Demaison J, Császár AG, Groner P, Rudolph HD, Craig NC. Semiexperimental equilibrium structures for cis,cis- and trans,trans-1,4-difluorobutadiene by the mixed estimation method and definitive relative energies of the isomers. The Journal of Physical Chemistry. A. 117: 13166-75. PMID 24266526 DOI: 10.1021/Jp4098183 |
0.396 |
|
| 2013 |
Rudolph HD, Demaison J, Császár AG. Accurate determination of the deformation of the benzene ring upon substitution: equilibrium structures of benzonitrile and phenylacetylene. The Journal of Physical Chemistry. A. 117: 12969-82. PMID 24160689 DOI: 10.1021/jp408208s |
0.582 |
|
| 2013 |
Demaison J, Jahn MK, Cocinero EJ, Lesarri A, Grabow JU, Guillemin JC, Rudolph HD. Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method. The Journal of Physical Chemistry. A. 117: 2278-84. PMID 23425029 DOI: 10.1021/Jp400505V |
0.602 |
|
| 2013 |
Craig NC, Chen Y, Fuson HA, Tian H, van Besien H, Conrad AR, Tubergen MJ, Rudolph HD, Demaison J. Microwave spectra of the deuterium isotopologues of cis-hexatriene and a semiexperimental equilibrium structure. The Journal of Physical Chemistry. A. 117: 9391-400. PMID 23237234 DOI: 10.1021/Jp311035C |
0.637 |
|
| 2012 |
Demaison J, Craig NC, Conrad AR, Tubergen MJ, Rudolph HD. Semiexperimental equilibrium structure of the lower energy conformer of glycidol by the mixed estimation method. The Journal of Physical Chemistry. A. 116: 9116-22. PMID 22894798 DOI: 10.1021/Jp305504X |
0.628 |
|
| 2012 |
Demaison J, Craig NC, Cocinero EJ, Grabow JU, Lesarri A, Rudolph HD. Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method. The Journal of Physical Chemistry. A. 116: 8684-92. PMID 22861349 DOI: 10.1021/Jp304178N |
0.65 |
|
| 2011 |
Demaison J, Császár AG, Margulès LD, Rudolph HD. Equilibrium structures of heterocyclic molecules with large principal axis rotations upon isotopic substitution. The Journal of Physical Chemistry. A. 115: 14078-91. PMID 22032750 DOI: 10.1021/jp2063595 |
0.568 |
|
| 1955 |
Maier W, Rudolph HD. Notizen: Ultraschallabsorption in binären flüssigen Gemischen mit dimer assoziierender Komponente. Zeitschrift FüR Naturforschung A. 10: 588-589. DOI: 10.1515/zna-1955-0716 |
0 |
|
| Show low-probability matches. |