화학공학소재연구정보센터
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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 Small Molecules-Big Data
Csaszar AG, Furtenbacher T, Arendas P
Journal of Physical Chemistry A, 120(45), 8949, 2016
3 Zero-Cost Estimation of Zero-Point Energies
Csaszar AG, Furtenbacher T
Journal of Physical Chemistry A, 119(40), 10229, 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 Domino Tunneling
Schreiner PR, Wagner JP, Reisenauer HP, Gerbig D, Ley D, Sarka J, Csaszar AG, Vaughn A, Allen WD
Journal of the American Chemical Society, 137(24), 7828, 2015
6 Grid-Based Empirical Improvement of Molecular Potential Energy Surfaces
Szidarovszky T, Csaszar AG
Journal of Physical Chemistry A, 118(32), 6256, 2014
7 Surprising Quenching of the Spin-Orbit Interaction Significantly Diminishes H2O center dot center dot center dot X [X = F, Cl, Br, I] Dissociation Energies
Czako G, Csaszar AG, Schaefer HF
Journal of Physical Chemistry A, 118(51), 11956, 2014
8 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
9 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
10 Temperature-Dependent, Effective Structures of the (NH3)-N-14 and (ND3)-N-14 Molecules
Szabo I, Fabri C, Czako G, Matyus E, Csaszar AG
Journal of Physical Chemistry A, 116(17), 4356, 2012