| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and lattice dynamics studies of the vibrational and geometrical properties of the molecular complex of hydroquinone and C60
|
Belosludov, Rodion V.
|
|
1999
|
312 |
2-4 |
p. 299-305
7 p.
|
artikel
|
| 2 |
A comparison of filter diagonalisation methods with the Lanczos method for calculating vibrational energy levels
|
Huang, Shi-Wei
|
|
1999
|
312 |
2-4 |
p. 311-318
8 p.
|
artikel
|
| 3 |
An ab-initio study of the relative stability of the ggg and the gtg conformer in hexane
|
Koglin, Eckhard
|
|
1999
|
312 |
2-4 |
p. 284-290
7 p.
|
artikel
|
| 4 |
An extensive ab initio study of a process of astrophysical interest: the N+(N)+CH3(CH3 +) reaction
|
Talbi, D.
|
|
1999
|
312 |
2-4 |
p. 291-298
8 p.
|
artikel
|
| 5 |
An improved externally contracted CI method
|
Wang, Yubin
|
|
1999
|
312 |
2-4 |
p. 277-283
7 p.
|
artikel
|
| 6 |
A non-perturbative approach to solvatochromic shifts of push–pull chromophores
|
Painelli, Anna
|
|
1999
|
312 |
2-4 |
p. 211-220
10 p.
|
artikel
|
| 7 |
Are C n N− clusters really bent?
|
Pascoli, G
|
|
1999
|
312 |
2-4 |
p. 333-340
8 p.
|
artikel
|
| 8 |
Circulants, symmetry and time-independent wavepacket scattering
|
Rasmussen, Anthony J.
|
|
1999
|
312 |
2-4 |
p. 229-236
8 p.
|
artikel
|
| 9 |
DFT and G2 calculations on the NO2–H2O molecular complex
|
Ball, David W
|
|
1999
|
312 |
2-4 |
p. 306-310
5 p.
|
artikel
|
| 10 |
Dissociation of H2 in the energy region at the H(n=1)+H(n=3) dissociation threshold after (1+1′) resonance-enhanced two-photon ionization via the B 1 Σ + u state
|
Scheper, C.R
|
|
1999
|
312 |
2-4 |
p. 131-138
8 p.
|
artikel
|
| 11 |
Dissociative photoionization dynamics of SF6 by ion imaging with synchrotron undulator radiation
|
Peterka, Darcy S.
|
|
1999
|
312 |
2-4 |
p. 108-114
7 p.
|
artikel
|
| 12 |
Electronic structures of endohedral N@C60, O@C60 and F@C60
|
Lu, Jing
|
|
1999
|
312 |
2-4 |
p. 85-90
6 p.
|
artikel
|
| 13 |
Erratum
|
|
|
1999
|
312 |
2-4 |
p. 347-
1 p.
|
artikel
|
| 14 |
Erratum
|
|
|
1999
|
312 |
2-4 |
p. 346-
1 p.
|
artikel
|
| 15 |
Femtosecond pump–probe and grating scattering study of condensed-phase hydrogen-bonding dynamics of complexes of Coumarin 102
|
Tschirschwitz, F
|
|
1999
|
312 |
2-4 |
p. 169-177
9 p.
|
artikel
|
| 16 |
Formation of single-wall carbon nanotubes catalyzed by Ni separating from Y in laser ablation or in arc discharge using a C target containing a NiY catalyst
|
Yudasaka, Masako
|
|
1999
|
312 |
2-4 |
p. 155-160
6 p.
|
artikel
|
| 17 |
Hexadecapole moment, dipole and quadrupole polarizability of sulfur hexafluoride
|
Maroulis, George
|
|
1999
|
312 |
2-4 |
p. 255-261
7 p.
|
artikel
|
| 18 |
Hydrogen abstraction rates via density functional theory
|
Susnow, Roberta G
|
|
1999
|
312 |
2-4 |
p. 262-268
7 p.
|
artikel
|
| 19 |
Improving CISD calculations by geminal-type reference states
|
Kállay, M.
|
|
1999
|
312 |
2-4 |
p. 221-228
8 p.
|
artikel
|
| 20 |
Interaction of atomic hydrogen, HS and H2S on GaAs(100)
|
Zou, Z.
|
|
1999
|
312 |
2-4 |
p. 149-154
6 p.
|
artikel
|
| 21 |
Jahn–Teller distortion in CD2H2 + from a rotationally resolved photoelectron spectrum
|
Signorell, R.
|
|
1999
|
312 |
2-4 |
p. 139-148
10 p.
|
artikel
|
| 22 |
Measurement of the absolute intensity of the fifth CH stretching overtone of benzene using cavity ring-down spectroscopy
|
Kleine, D.
|
|
1999
|
312 |
2-4 |
p. 185-190
6 p.
|
artikel
|
| 23 |
Molecular alignment and orientation in short pulse laser fields
|
Henriksen, Niels E.
|
|
1999
|
312 |
2-4 |
p. 196-202
7 p.
|
artikel
|
| 24 |
NMR study of the director fluctuations coherence length in the nematic phase of butylcyano-phenylcyclohexane
|
Pusiol, D.J
|
|
1999
|
312 |
2-4 |
p. 91-95
5 p.
|
artikel
|
| 25 |
Observations of merocyanine J-aggregate domains in mixed molecular monolayers using SHG/fluorescence and atomic force microscopes
|
Kato, Noritaka
|
|
1999
|
312 |
2-4 |
p. 115-120
6 p.
|
artikel
|
| 26 |
Organized structures of methanol in carbon nanospaces at 303 K studies with in situ X-ray diffraction
|
Ohkubo, T
|
|
1999
|
312 |
2-4 |
p. 191-195
5 p.
|
artikel
|
| 27 |
Pair interaction molecular orbital method: an approximate computational method for molecular interactions
|
Kitaura, Kazuo
|
|
1999
|
312 |
2-4 |
p. 319-324
6 p.
|
artikel
|
| 28 |
Performance of a kinetic energy density-dependent functional (VSXC) for predicting vibrational frequencies
|
Jaramillo, Juanita
|
|
1999
|
312 |
2-4 |
p. 269-276
8 p.
|
artikel
|
| 29 |
Photodissociation dynamics of diiodomethane in solution
|
Tarnovsky, Alexander N
|
|
1999
|
312 |
2-4 |
p. 121-130
10 p.
|
artikel
|
| 30 |
Photodissociation spectroscopy of the Mg+–C2H2 π-complex
|
Reddic, J.E
|
|
1999
|
312 |
2-4 |
p. 96-100
5 p.
|
artikel
|
| 31 |
Potential energy surface of C6F6 − radical anion
|
Shchegoleva, L.N.
|
|
1999
|
312 |
2-4 |
p. 325-332
8 p.
|
artikel
|
| 32 |
Protein electron transfer: a numerical study of tunneling through fluctuating bridges
|
Xie, Qian
|
|
1999
|
312 |
2-4 |
p. 237-246
10 p.
|
artikel
|
| 33 |
Reduced potential energy curves for diatomic molecules and their respective cations
|
Abrol, Ravinder
|
|
1999
|
312 |
2-4 |
p. 341-345
5 p.
|
artikel
|
| 34 |
Solvation dynamics of 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM) in a microemulsion
|
Pal, Samir Kumar
|
|
1999
|
312 |
2-4 |
p. 178-184
7 p.
|
artikel
|
| 35 |
Solvent dependence of ultrafast ground state recovery of the triphenylmethane dyes, brilliant green and malachite green
|
Nagasawa, Yutaka
|
|
1999
|
312 |
2-4 |
p. 161-168
8 p.
|
artikel
|
| 36 |
Strong isotope effects in the F+HD reactions at the low-energy interval: a quantum-mechanical study
|
Baer, Michael
|
|
1999
|
312 |
2-4 |
p. 203-210
8 p.
|
artikel
|
| 37 |
Surface-enhanced Raman spectroscopy of cadmium sulfide/cadmium selenide superlattices formed on gold by electrochemical atomic-layer epitaxy
|
Zou, Shouzhong
|
|
1999
|
312 |
2-4 |
p. 101-107
7 p.
|
artikel
|
| 38 |
The multicanonical weighted histogram analysis method for the free-energy landscape along structural transition paths
|
Ono, Satoshi
|
|
1999
|
312 |
2-4 |
p. 247-254
8 p.
|
artikel
|
| 39 |
Trapping–desorption and surface penetration of argon on ice
|
Bolton, Kim
|
|
1999
|
312 |
2-4 |
p. 71-76
6 p.
|
artikel
|
| 40 |
Valencies of a small fullerene: structures and energetics of C24H2m
|
Fowler, P.W
|
|
1999
|
312 |
2-4 |
p. 77-84
8 p.
|
artikel
|
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