화학공학소재연구정보센터
검색결과 : 41건
No. Article
1 Accurate Calculation of the Dissociation Energy of the Highly Anharmonic System ClHCl-
Stein C, Oswald R, Botschwina P, Peterson KA
Journal of Physical Chemistry A, 119(21), 5158, 2015
2 FHF- Isotopologues: Highly Anharmonic Hydrogen-Bonded Systems with Strong Coriolis Interaction
Sebald P, Bargholz A, Oswald R, Stein C, Botschwina P
Journal of Physical Chemistry A, 117(39), 9695, 2013
3 Rovibrational States of N-3(-) and CO2 Up to High J: A Theoretical Study Beyond fc-CCSD(T)
Sebald P, Stein C, Oswald R, Botschwina P
Journal of Physical Chemistry A, 117(50), 13806, 2013
4 Fulvenallenyl Cation (C7H5+) and Its Complex with an Argon Atom: Results of High-Level Quantum-Chemical Calculations
Botschwina P, Oswald R
Journal of Physical Chemistry A, 116(13), 3448, 2012
5 Explicitly Correlated Coupled Cluster Calculations for the Benzenium Ion (C6H7+) and Its Complexes with Ne and Ar
Botschwina P, Oswald R
Journal of Physical Chemistry A, 115(46), 13664, 2011
6 Explicitly Correlated Coupled Cluster Calculations for Propadienylidene (H2CCC)
Botschwina P, Oswald R
Journal of Physical Chemistry A, 114(36), 9782, 2010
7 Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2 and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations
de Miranda BKC, Alcaraz C, Elhanine M, Noller B, Hemberger P, Fischer I, Garcia GA, Soldi-Lose H, Gans B, Mendes LAV, Boye-Peronne S, Douin S, Zabka J, Botschwina P
Journal of Physical Chemistry A, 114(14), 4818, 2010
8 CCSD(T)-F12a Study of Reactions of Interstellar Anions C2nH-(n=2-4) with HCCH
Botschwina P, Oswald R
Journal of Physical Chemistry A, 114(14), 4875, 2010
9 Accurate Potential Energy Surface and Calculated Spectroscopic Properties for CdH2 Isotopomers
Sebald P, Oswald R, Botschwina P, Stoll H, Figgen D
Journal of Physical Chemistry A, 113(43), 11772, 2009
10 Coupled cluster study of the linear carbon chains C2n+1 (n=5-9)
Botschwina P
Journal of Physical Chemistry A, 111(31), 7431, 2007