| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations for small iodo clusters. Good performance of relativistic effective core potentials
|
Danovich, David
|
|
1995
|
233 |
3 |
p. 249-256
8 p.
|
artikel
|
| 2 |
Ab initio study of the hypermagnesium Mg2O+ and Mg3O+ cations
|
Boldyrev, Alexander I.
|
|
1995
|
233 |
3 |
p. 266-272
7 p.
|
artikel
|
| 3 |
A comparative study of ab initio SCF-CI and DFT. Example of small boron clusters
|
Boustani, Ihsan
|
|
1995
|
233 |
3 |
p. 273-278
6 p.
|
artikel
|
| 4 |
An investigation of the mechanisms of production of Ar+ emission using Doppler shifted Fourier transform spectroscopy
|
Hong, Xichun
|
|
1995
|
233 |
3 |
p. 298-302
5 p.
|
artikel
|
| 5 |
A theoretical study of the energetics of insertion of dicarbon (C2) and vinylidene into methane CH bonds
|
Horner, David A.
|
|
1995
|
233 |
3 |
p. 243-248
6 p.
|
artikel
|
| 6 |
A theoretical study on the low-lying electronic states of the Li2H molecule
|
Fang, Wei-hai
|
|
1995
|
233 |
3 |
p. 237-242
6 p.
|
artikel
|
| 7 |
CASSCF and CASPT2 calculations of hole-doped polycarbenes. Possibilities of organic ferromagnetic conductors and metals
|
Yamanaka, S.
|
|
1995
|
233 |
3 |
p. 257-265
9 p.
|
artikel
|
| 8 |
Deuterium isotope effect on the radiatively induced unimolecular dissociation of small cluster ions
|
Scott Tonner, D.
|
|
1995
|
233 |
3 |
p. 324-330
7 p.
|
artikel
|
| 9 |
Efficient evaluation of second-order transition amplitudes by simultaneous propagation over intermediate and final states
|
Lee, Sungyul
|
|
1995
|
233 |
3 |
p. 207-213
7 p.
|
artikel
|
| 10 |
Electric field dependence of the diabatic potential energy surface for gas-phase electron transfer O2O2 − → O2 −O2
|
Li, Xiang-Yuan
|
|
1995
|
233 |
3 |
p. 227-230
4 p.
|
artikel
|
| 11 |
Electron momentum spectroscopy of ethylene oxide
|
Brunger, M.J.
|
|
1995
|
233 |
3 |
p. 214-219
6 p.
|
artikel
|
| 12 |
Enhancement of the vibrational relaxation rate of surface hydroxyls through hydrogen bonds with adsorbates
|
Bonn, Mischa
|
|
1995
|
233 |
3 |
p. 309-314
6 p.
|
artikel
|
| 13 |
FT IR transmission spectral study of some single crystals of C60 clathrates
|
Semkin, V.N.
|
|
1995
|
233 |
3 |
p. 291-297
7 p.
|
artikel
|
| 14 |
Gas phase photodissociation of MC2H2 + (M = Zr, Nb). Determination of D 0(M+C2H2
|
Ranatunga, Don Rufus A.
|
|
1995
|
233 |
3 |
p. 319-323
5 p.
|
artikel
|
| 15 |
On the fluorescence of crystalline C60 at 1.2 K
|
van den Heuvel, D.J.
|
|
1995
|
233 |
3 |
p. 284-290
7 p.
|
artikel
|
| 16 |
On the product vibrational distribution of exoergic reactions: the B + OH system
|
Aguilar, A.
|
|
1995
|
233 |
3 |
p. 201-206
6 p.
|
artikel
|
| 17 |
Parameterization of NDDO wavefunctions using genetic algorithms. An evolutionary approach to parameterizing potential energy surfaces and direct dynamics calculations for organic reactions
|
Rossi, Ivan
|
|
1995
|
233 |
3 |
p. 231-236
6 p.
|
artikel
|
| 18 |
Spin catalysis of the radical recombination reaction
|
Buchachenko, Anatoly L.
|
|
1995
|
233 |
3 |
p. 315-318
4 p.
|
artikel
|
| 19 |
Square/hexagon route towards the boron-nitrogen clusters
|
Sun, Mei-Ling
|
|
1995
|
233 |
3 |
p. 279-283
5 p.
|
artikel
|
| 20 |
Theoretical values of the enthalpies of formation of the NH x (x = 1,2,3) compounds. Importance of the core-correlation effects
|
Espinosa-García, J.
|
|
1995
|
233 |
3 |
p. 220-226
7 p.
|
artikel
|
| 21 |
Transient hot UV spectra in the collisional deactivation of highly excited trans-stilbene in liquid solvents
|
Nikowa, L.
|
|
1995
|
233 |
3 |
p. 303-308
6 p.
|
artikel
|
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