검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
A "Stepping Stone" Approach for Obtaining Quantum Free Energies of Hydration Sampson C, Fox T, Tautermann CS, Woods C, Skylaris CK Journal of Physical Chemistry B, 119(23), 7030, 2015 |
| 2 |
Reaction rates of all hydrogenation steps in ammonia synthesis over a Ru(0001) surface Tautermann CS, Sturdy YK, Clary DC Journal of Catalysis, 244(2), 199, 2006 |
| 3 |
Predicting catalysis: Understanding ammonia synthesis from first-principles calculations Hellman A, Baerends EJ, Biczysko M, Bligaard T, Christensen CH, Clary DC, Dahl S, van Harrevelt R, Honkala K, Jonsson H, Kroes GJ, Luppi M, Manthe U, Norskov JK, Olsen RA, Rossmeisl J, Skulason E, Tautermann CS, Varandas AJC, Vincent JK Journal of Physical Chemistry B, 110(36), 17719, 2006 |
| 4 |
The ground-state tunneling splitting of various carboxylic acid dimers Tautermann CS, Voegele AF, Liedl KR Journal of Chemical Physics, 120(2), 631, 2004 |
| 5 |
Double hydrogen tunneling revisited: The breakdown of experimental tunneling criteria Tautermann CS, Loferer MJ, Voegele AF, Liedl KR Journal of Chemical Physics, 120(24), 11650, 2004 |
| 6 |
On the formation of the sulfonate ion from hydrated sulfur dioxide Voegele AF, Tautermann CS, Rauch C, Loerting T, Liedl KR Journal of Physical Chemistry A, 108(17), 3859, 2004 |
| 7 |
Mechanism of the cis-trans isomerization of bis(glycinato)copper(II) Tautermann CS, Sabolovic J, Voegele AF, Liedl KR Journal of Physical Chemistry B, 108(6), 2098, 2004 |
| 8 |
Reactions of HOBr+HCl+nH(2)O and HOBr+HBr+nH(2)O Voegele AF, Tautermann CS, Loerting T, Liedl KR Chemical Physics Letters, 372(3-4), 569, 2003 |
| 9 |
Modeling anhydrous and aqua copper(II) amino acid complexes: A new molecular mechanics force field parametrization based on quantum chemical studies and experimental crystal data Sabolovic J, Tautermann CS, Loerting T, Liedl KR Inorganic Chemistry, 42(7), 2268, 2003 |
| 10 |
About the kinetic feasibility of the Lipscomb mechanism in human carbonic anhydrase II Tautermann CS, Loferer MJ, Voegele AF, Liedl KR Journal of Physical Chemistry B, 107(43), 12013, 2003 |