화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Fourier Transform Microwave Spectrum of Propene-3-d(1) (CH2=CHCH2D), Quadrupole Coupling Constants of Deuterium, and a Semiexperimental Equilibrium Structure of Propene
Demaison J, Craig NC, Gurusinghe R, Tubergen MJ, Rudolph HD, Coudert LH, Szalay PG, Csaszar AG
Journal of Physical Chemistry A, 121(16), 3155, 2017
2 Electron De localization in Polyenes: A Semiexperimental Equilibrium Structure for (3E)-1,3,5-Hexatriene and Theoretical Structures for (3Z5Z)-, (3E5E)-, and (3E,5Z)-1,3,5,7-Octatetraene
Craig NC, Demaison J, Groner P, Rudolph HD, Vogt N
Journal of Physical Chemistry A, 119(1), 195, 2015
3 Accurate Equilibrium Structures for Piperidine and Cyclohexane
Demaison J, Craig NC, Groner P, Ecija P, Cocinero EJ, Lesarri A, Rudolph HD
Journal of Physical Chemistry A, 119(9), 1486, 2015
4 Equilibrium Structures of Three-, Four-, Five-, Six-, and Seven-Membered Unsaturated N-Containing Heterocycles
Csaszar AG, Demaison J, Rudolph HD
Journal of Physical Chemistry A, 119(9), 1731, 2015
5 Accurate Semiexperimental Structure of 1,3,4-Oxadiazole by the Mixed Estimation Method
Demaison J, Jahn MK, Cocinero EJ, Lesarri A, Grabow JU, Guillemin JC, Rudolph HD
Journal of Physical Chemistry A, 117(10), 2278, 2013
6 Microwave Spectra of the Deuterium Isotopologues of cis-Hexatriene and a Semiexperimental Equilibrium Structure
Craig NC, Chen YH, Fuson HA, Tian HF, van Besien H, Conrad AR, Tubergen MJ, Rudolph HD, Demaison J
Journal of Physical Chemistry A, 117(39), 9391, 2013
7 Accurate Determination of the Deformation of the Benzene Ring upon Substitution: Equilibrium Structures of Benzonitrile and Phenylacetylene
Rudolph HD, Demaison J, Csaszar AG
Journal of Physical Chemistry A, 117(48), 12969, 2013
8 Semiexperimental Equilibrium Structures for cis,cis- and trans,trans-1,4-Difluorobutadiene by the Mixed Estimation Method and Definitive Relative Energies of the Isomers
Demaison J, Csaszar AG, Groner P, Rudolph HD, Craig NC
Journal of Physical Chemistry A, 117(49), 13166, 2013
9 Semiexperimental Equilibrium Structures for the Equatorial Conformers of N-Methylpiperidone and Tropinone by the Mixed Estimation Method
Demaison J, Craig NC, Cocinero EJ, Grabow JU, Lesarri A, Rudolph HD
Journal of Physical Chemistry A, 116(34), 8684, 2012
10 Semiexperimental Equilibrium Structure of the Lower Energy Conformer of Glycidol by the Mixed Estimation Method
Demaison J, Craig NC, Conrad AR, Tubergen MJ, Rudolph HD
Journal of Physical Chemistry A, 116(36), 9116, 2012