| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio adiabatic and diabatic permanent dipoles for the low-lying states of the LiH molecule. A direct illustration of the ionic character
|
Berriche, Hamid
|
|
1995
|
247 |
1-2 |
p. 85-88
4 p.
|
artikel
|
| 2 |
Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding: vibrational consequences of proton position in 1:1 complexes of HCl and 4-X-pyridines
|
Del Bene, Janet E.
|
|
1995
|
247 |
1-2 |
p. 89-94
6 p.
|
artikel
|
| 3 |
A Dirac molecular orbital study for encapsulated heavy transition metals within ytrium cluster iodides
|
Arratia-Pérez, Ramiro
|
|
1995
|
247 |
1-2 |
p. 163-167
5 p.
|
artikel
|
| 4 |
Analysis of the near-infrared spectra of C60 −
|
Bolskar, Robert D.
|
|
1995
|
247 |
1-2 |
p. 57-62
6 p.
|
artikel
|
| 5 |
An organic metamagnet: 4-(2-naphtylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl
|
Ishida, Takayuki
|
|
1995
|
247 |
1-2 |
p. 7-12
6 p.
|
artikel
|
| 6 |
A phase transition for solid methane
|
El-Sheikh, S.M.
|
|
1995
|
247 |
1-2 |
p. 159-162
4 p.
|
artikel
|
| 7 |
Behaviour of D2 in an intense CO2 laser field
|
Ilkov, F.A.
|
|
1995
|
247 |
1-2 |
p. 1-6
6 p.
|
artikel
|
| 8 |
Can contemporary density functional theory yield accurate thermodynamics for hydrogen bonding?
|
Topol, I.A.
|
|
1995
|
247 |
1-2 |
p. 112-119
8 p.
|
artikel
|
| 9 |
Computational evidence for a new C84 isomer
|
Bühl, Michael
|
|
1995
|
247 |
1-2 |
p. 63-68
6 p.
|
artikel
|
| 10 |
Defining percolation kinetically on an infinite lattice
|
Mai, J.
|
|
1995
|
247 |
1-2 |
p. 189-193
5 p.
|
artikel
|
| 11 |
Dipole moment of the water molecule in the condensed phase: a periodic Hartree-Fock estimate
|
Gatti, C.
|
|
1995
|
247 |
1-2 |
p. 135-141
7 p.
|
artikel
|
| 12 |
Distributions of the Hg, Pb and Tl atoms in a single grain of a Hg0.55Pb0.25Tl0.2Ba2Ca2Cu3O y superconductor
|
Chow, J.C.L.
|
|
1995
|
247 |
1-2 |
p. 45-50
6 p.
|
artikel
|
| 13 |
Dynamics of hydrogen bonding and energy transfer in matrix-assisted laser desorption
|
Bencsura, Akos
|
|
1995
|
247 |
1-2 |
p. 142-148
7 p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
1995
|
247 |
1-2 |
p. ii-
1 p.
|
artikel
|
| 15 |
Effects of finite basis set expansion and electron correlation on the atomic shell structure from average local electrostatic potential functions
|
De Proft, F.
|
|
1995
|
247 |
1-2 |
p. 154-158
5 p.
|
artikel
|
| 16 |
EPR, FTIR, and FAB mass spectrometric investigation of reaction of H atoms with C60 in a cyclohexane matrix (Chem. Phys. Letters 203 (1993) 540)
|
|
|
1995
|
247 |
1-2 |
p. 194-
1 p.
|
artikel
|
| 17 |
Fullerene-based macromolecules from photochemical reactions of [60]fullerene and triethylamine
|
Ma, Bin
|
|
1995
|
247 |
1-2 |
p. 51-56
6 p.
|
artikel
|
| 18 |
Geometries and electronic structure of extractable C90 fullerenes
|
Okada, Susumu
|
|
1995
|
247 |
1-2 |
p. 69-78
10 p.
|
artikel
|
| 19 |
HO∴OH−: a model for stable three-electron bonded peroxide radical anions
|
Humbel, Stéphane
|
|
1995
|
247 |
1-2 |
p. 126-134
9 p.
|
artikel
|
| 20 |
Investigation of the ultrafast dephasing time of gold nanoparticles using incoherent light
|
Puech, K.
|
|
1995
|
247 |
1-2 |
p. 13-17
5 p.
|
artikel
|
| 21 |
Ionic and covalent bonds in CeO2 crystal
|
Nakamatsu, Hirohide
|
|
1995
|
247 |
1-2 |
p. 168-172
5 p.
|
artikel
|
| 22 |
Laser photoionisation (REMPI) spectroscopy of the 3s ← n Rydberg transition of jet-cooled acetaldehyde (CH3CHO)
|
Shand, Neil C.
|
|
1995
|
247 |
1-2 |
p. 32-37
6 p.
|
artikel
|
| 23 |
Molecular excimers: fluorescence maxima
|
Khakhel', O.A.
|
|
1995
|
247 |
1-2 |
p. 185-188
4 p.
|
artikel
|
| 24 |
New experimental findings in a Belousov-Zhabotinsky system with mixed substrate
|
Jayalakshmi, V.
|
|
1995
|
247 |
1-2 |
p. 38-44
7 p.
|
artikel
|
| 25 |
Nonlinear hydrogen bonds O ⋯ HC and the rôle of secondary interactions. The rotational spectrum of the oxirane ⋯ acetylene complex
|
Legon, A.C.
|
|
1995
|
247 |
1-2 |
p. 24-31
8 p.
|
artikel
|
| 26 |
Note on the choice of basis set in density functional theory calculations for electronic structures of molecules (test on the atoms from the first three rows of the periodic table (2 ⩽ N ⩽ Z ⩽ 18), water, ammonia and pyrrole)
|
Kristyán, Sándor
|
|
1995
|
247 |
1-2 |
p. 101-111
11 p.
|
artikel
|
| 27 |
On the mechanism of the energy redistribution in the A 2 Ag(2Σ g +) state of the HCCH+ ion
|
Chambaud, G.
|
|
1995
|
247 |
1-2 |
p. 79-84
6 p.
|
artikel
|
| 28 |
Photodissociation of HOCl via the 1 1A″ state. Model calculations of the spin-orbit and Λ-doublet product state distributions
|
Offer, Alison R.
|
|
1995
|
247 |
1-2 |
p. 173-178
6 p.
|
artikel
|
| 29 |
Photoionization spectroscopy of CuKr
|
Brock, L.R.
|
|
1995
|
247 |
1-2 |
p. 18-23
6 p.
|
artikel
|
| 30 |
Solid-liquid phase transitions in Lennard-Jones systems
|
Tsang, T.
|
|
1995
|
247 |
1-2 |
p. 179-184
6 p.
|
artikel
|
| 31 |
Structure, energetics and bonding of diacetylene complexes with hydrogen fluoride. A theoretical investigation
|
Chandra, A.K.
|
|
1995
|
247 |
1-2 |
p. 95-100
6 p.
|
artikel
|
| 32 |
Symmetry loss as a criterion for cluster melting, with application to (D2)13
|
Buch, V.
|
|
1995
|
247 |
1-2 |
p. 149-153
5 p.
|
artikel
|
| 33 |
The prediction of Raman spectra by density functional theory. Preliminary findings
|
Johnson, Benny G.
|
|
1995
|
247 |
1-2 |
p. 120-125
6 p.
|
artikel
|
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