검색결과 : 16건
| No. | Article |
|---|---|
| 1 |
Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture Schenk MR, Koddermann T, Kirschner KN, Knauer S, Reith D Journal of Chemical and Engineering Data, 65(3), 1117, 2020 |
| 2 |
Quantum Mechanical Study of Sulfuric Acid Hydration: Atmospheric Implications Temelso B, Morrell TE, Shields RM, Allodi MA, Wood EK, Kirschner KN, Castonguay TC, Archer KA, Shields GC Journal of Physical Chemistry A, 116(9), 2209, 2012 |
| 3 |
Liquid-liquid equilibria of dipropylene glycol dimethyl ether and water by molecular dynamics Koddermann T, Kirschner KN, Vrabec J, Hulsmann M, Reith D Fluid Phase Equilibria, 310(1-2), 25, 2011 |
| 4 |
Hydration of OCS with one to four water molecules in atmospheric and laboratory conditions Hartt GM, Shields GC, Kirschner KN Journal of Physical Chemistry A, 112(19), 4490, 2008 |
| 5 |
Thermodynamics of the hydroxyl radical addition to isoprene Allodi MA, Kirschner KN, Shields GC Journal of Physical Chemistry A, 112(30), 7064, 2008 |
| 6 |
Efficient and Accurate Characterization of the Bergman Cyclization for Several Enediynes Including an Expanded Substructure of Esperamicin A(1) Sherer EC, Kirschner KN, Pickard FC, Rein C, Feldgus S, Shields GC Journal of Physical Chemistry B, 112(51), 16917, 2008 |
| 7 |
Computational design and experimental discovery of an antiestrogenic peptide derived from alpha-fetoprotein Kirschner KN, Lexa KW, Salisburg AM, Alser KA, Joseph L, Andersen TT, Bennett JA, Jacobson HI, Shields GC Journal of the American Chemical Society, 129(19), 6263, 2007 |
| 8 |
Prediction of accurate anharmonic experimental vibrational frequencies for water clusters, (H2O)(n), n=2-5 Dunn ME, Evans TM, Kirschner KN, Shields GC Journal of Physical Chemistry A, 110(1), 303, 2006 |
| 9 |
Ortho effect in the Bergman cyclization: Electronic and steric effects in hydrogen abstraction by 1-substituted naphthalene 5,8-diradicals Pickard FC, Shepherd RL, Gillis AE, Dunn ME, Feldgus S, Kirschner KN, Shields GC, Manoharan M, Alabugin IV Journal of Physical Chemistry A, 110(7), 2517, 2006 |
| 10 |
Exploration of the potential energy surfaces, prediction of atmospheric concentrations, and prediction of vibrational spectra for the HO2 center dot center dot center dot (H2O)n (n=1-2) hydrogen bonded complexes Alongi KS, Dibble TS, Shields GC, Kirschner KN Journal of Physical Chemistry A, 110(10), 3686, 2006 |