화학공학소재연구정보센터
검색결과 : 33건
No. Article
1 Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals
Jasper AW, Gruey ZB, Harding LB, Georgievskii Y, Klippenstein SJ, Wagner AF
Journal of Physical Chemistry A, 122(6), 1727, 2018
2 A Classical Trajectory Study of the Dissociation and lsomerization of C2H5
Wagner AF, Rivera-Rivera LA, Bachellerie D, Perry JW, Thompson DL
Journal of Physical Chemistry A, 117(46), 11624, 2013
3 Improved Multidimensional Semiclassical Tunneling Theory
Wagner AF
Journal of Physical Chemistry A, 117(49), 13089, 2013
4 Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory
Sivaramakrishnan R, Michael JV, Wagner AF, Dawes R, Jasper AW, Harding LB, Georgievskii Y, Klippenstein SJ
Combustion and Flame, 158(4), 618, 2011
5 Ab Initio Wavenumber Accurate Spectroscopy: (CH2)-C-1 and HCN Vibrational Levels on Automatically Generated IMLS Potential Energy Surfaces
Dawes R, Wagner AF, Thompson DL
Journal of Physical Chemistry A, 113(16), 4709, 2009
6 Intense slow positron production at the 15 MeV LINAC at Argonne National Laboratory
Chen HM, Jean YC, Jonah CD, Chemerisov S, Wagner AF, Schrader DM, Hunt AW
Applied Surface Science, 252(9), 3159, 2006
7 Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function
Kawano A, Guo Y, Thompson DL, Wagner AF, Minkoff M
Journal of Chemical Physics, 120(14), 6414, 2004
8 Interpolating moving least-squares methods for fitting potential energy surfaces: Applications to classical dynamics calculations
Guo Y, Kawano A, Thompson DL, Wagner AF, Minkoff M
Journal of Chemical Physics, 121(11), 5091, 2004
9 Ab initio study of AmCl+: f-f spectroscopy and chemical binding
Tilson JL, Naleway C, Seth M, Shepard R, Wagner AF, Ermler WC
Journal of Chemical Physics, 121(12), 5661, 2004
10 Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system
Maisuradze GG, Kawano A, Thompson DL, Wagner AF, Minkoff M
Journal of Chemical Physics, 121(21), 10329, 2004