| 1 |
On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde
King RA, Allen WD, Schaefer HF
Journal of Chemical Physics, 112(13), 5585, 2000 |
| 2 |
Modeling proton mobility in acidic zeolite clusters. I. Convergence of transition state parameters from quantum chemistry
Fermann JT, Blanco C, Auerbach S
Journal of Chemical Physics, 112(15), 6779, 2000 |
| 3 |
Structures of furanosides: A study of the conformational space of methyl alpha-D-lyxofuranoside by density functional methods
Evdokimov AG, Martin JML, Kalb AJ
Journal of Physical Chemistry A, 104(22), 5291, 2000 |
| 4 |
An experimental and theoretical study of the vibrationally mediated photodissociation of hydroxylamine
Luckhaus D, Scott JL, Crim FF
Journal of Chemical Physics, 110(3), 1533, 1999 |
| 5 |
Organometallic molecular modelling - the computational chemistry of metallocenes: a review
Fey N
Journal of Chemical Technology and Biotechnology, 74(9), 852, 1999 |
| 6 |
Density functional study on the structures and energies of the Ti2C2 cluster
Sumathi R, Hendrickx M
Journal of Physical Chemistry A, 103(5), 585, 1999 |
| 7 |
Ab initio calculations of monosubstituted (CH3OH, CH3SH, NH3) hydrated ions of Zn2+ and Ni2+
Rulisek L, Havlas Z
Journal of Physical Chemistry A, 103(11), 1634, 1999 |
| 8 |
Direct scaling of primitive valence force constants : An alternative approach to scaled quantum mechanical force fields
Baker J, Jarzecki AA, Pulay P
Journal of Physical Chemistry A, 102(8), 1412, 1998 |
| 9 |
Ab initio and density functional theory study of the geometry and reactivity of benzyne, 3-fluorobenzyne, 4-fluorobenzyne, and 4,5-didehydropyrimidine
Langenaeker W, De Proft F, Geerlings P
Journal of Physical Chemistry A, 102(29), 5944, 1998 |
| 10 |
The Rovibrational Spectrum of Hydroxylamine - A Combined High-Resolution Experimental and Theoretical-Study
Luckhaus D
Journal of Chemical Physics, 106(20), 8409, 1997 |
