| 1 |
Simplified Wave Function Models in Thermochemical Protocols Based on Bond Separation Reactions
Bakowies D
Journal of Physical Chemistry A, 118(50), 11811, 2014 |
| 2 |
Assessment of Density Functional Theory for Thermochemical Approaches Based on Bond Separation Reactions
Bakowies D
Journal of Physical Chemistry A, 117(1), 228, 2013 |
| 3 |
Ab Initio Thermochemistry with High-Level Isodesmic Corrections: Validation of the ATOMIC Protocol for a Large Set of Compounds with First-Row Atoms (H, C, N, O, F)
Bakowies D
Journal of Physical Chemistry A, 113(43), 11517, 2009 |
| 4 |
Theoretical study of base-catalyzed amide hydrolysis: Gas- and aqueous-phase hydrolysis of formamide
Bakowies D, Kollman PA
Journal of the American Chemical Society, 121(24), 5712, 1999 |
| 5 |
Combined ab initio and free energy calculations to study reactions in enzymes and solution : Amide hydrolysis in trypsin and aqueous solution
Stanton RV, Perakyla M, Bakowies D, Kollman PA
Journal of the American Chemical Society, 120(14), 3448, 1998 |
| 6 |
Hybrid Models for Combined Quantum-Mechanical and Molecular Mechanical Approaches
Bakowies D, Thiel W
Journal of Physical Chemistry, 100(25), 10580, 1996 |
| 7 |
Can Large Fullerenes Be Spherical
Bakowies D, Buhl M, Thiel W
Journal of the American Chemical Society, 117(40), 10113, 1995 |
