| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies
|
Basilevsky, M.V.
|
|
1998
|
232 |
1-2 |
p. 189-199
11 p.
|
artikel
|
| 2 |
A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies
|
Newton, M.D.
|
|
1998
|
232 |
1-2 |
p. 201-210
10 p.
|
artikel
|
| 3 |
A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AlSi
|
Ornellas, Fernando R.
|
|
1998
|
232 |
1-2 |
p. 95-109
15 p.
|
artikel
|
| 4 |
A Valence-Bond/Hartree–Fock method to determine the Hubbard transfer integrals in organic conductors
|
Castet, F.
|
|
1998
|
232 |
1-2 |
p. 37-47
11 p.
|
artikel
|
| 5 |
Bonding in molecular dications from the classical valence bond viewpoint. A case study of CO2+
|
Polák, Rudolf
|
|
1998
|
232 |
1-2 |
p. 25-36
12 p.
|
artikel
|
| 6 |
Dependence of volume-produced H− ions on the wall recombination probability of H atoms in a low pressure H2 positive column
|
Loureiro, J
|
|
1998
|
232 |
1-2 |
p. 141-149
9 p.
|
artikel
|
| 7 |
Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine/fluorene system
|
Trakhtenberg, L.I.
|
|
1998
|
232 |
1-2 |
p. 175-187
13 p.
|
artikel
|
| 8 |
Fluorescence lifetime of rovibrational states of h4-acetaldehyde and spectra of d4-acetaldehyde
|
Jen, Shih-Hui
|
|
1998
|
232 |
1-2 |
p. 131-139
9 p.
|
artikel
|
| 9 |
Monte Carlo and molecular orbital study of solvent effect on the electronic structure and hyperfine coupling constants of the (CH3)2NO radical: the effect of electron transfer between the solute and solvent molecules
|
Yagi, Toru
|
|
1998
|
232 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 10 |
On the electronic structure of Cu(III) and Ni(III) in La2Li1/2Cu1/2O4, Nd2Li1/2Ni1/2O4, and Cs2KCuF6
|
Hu, Z
|
|
1998
|
232 |
1-2 |
p. 63-74
12 p.
|
artikel
|
| 11 |
Pathway approach to ultrafast photochemistry: potential surfaces, conical intersections and isomerizations of small polyenes
|
Fuß, W
|
|
1998
|
232 |
1-2 |
p. 161-174
14 p.
|
artikel
|
| 12 |
Quantitative studies of the photoabsorption (4.5–488 eV) and photoionization (9–59.5 eV) of methyl iodide using dipole electron impact techniques
|
Olney, Terry N
|
|
1998
|
232 |
1-2 |
p. 211-237
27 p.
|
artikel
|
| 13 |
Solvation of chromone using combined Discrete/SCRF models
|
Alemán, Carlos
|
|
1998
|
232 |
1-2 |
p. 151-159
9 p.
|
artikel
|
| 14 |
Theoretical study of the Cl1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio configuration interaction and density functional approaches
|
Fronzoni, G
|
|
1998
|
232 |
1-2 |
p. 9-23
15 p.
|
artikel
|
| 15 |
Theoretical study of X-ray circular dichroism of amino acids
|
Plashkevych, Oleksandr
|
|
1998
|
232 |
1-2 |
p. 49-62
14 p.
|
artikel
|
| 16 |
The vibrational spectroscopy of C60H36: An experimental and theoretical study
|
Bini, R.
|
|
1998
|
232 |
1-2 |
p. 75-94
20 p.
|
artikel
|
| 17 |
Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO2 in the ground electronic state: separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states
|
Oppel, M
|
|
1998
|
232 |
1-2 |
p. 111-130
20 p.
|
artikel
|
| 18 |
Vibrational energy transfer processes in dye molecules after ultrafast excitation of skeletal modes
|
Dahinten, T
|
|
1998
|
232 |
1-2 |
p. 239-245
7 p.
|
artikel
|
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