| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate quantum chemical calculation of the relative energetics of C20 carbon clusters via localized multireference perturbation calculations
|
Murphy, Robert B
|
|
1998
|
288 |
2-4 |
p. 403-407
5 p.
|
artikel
|
| 2 |
Analysis of thermally treated silica gel using Fourier transform ion cyclotron resonance mass spectrometry
|
Lafargue, P.E.
|
|
1998
|
288 |
2-4 |
p. 494-498
5 p.
|
artikel
|
| 3 |
A new derivation of approximate limiting laws for ionic activities
|
Pines, Ehud
|
|
1998
|
288 |
2-4 |
p. 270-276
7 p.
|
artikel
|
| 4 |
A numerical study of the functional derivative of the kinetic part of the density functional correlation energy
|
Joubert, Daniel P.
|
|
1998
|
288 |
2-4 |
p. 338-342
5 p.
|
artikel
|
| 5 |
A quantum mechanical study of He+H2→He+H+H in the energy range 5–10 eV
|
Nobusada, Katsuyuki
|
|
1998
|
288 |
2-4 |
p. 311-318
8 p.
|
artikel
|
| 6 |
A selectively enhanced multicanonical molecular dynamics method for conformational sampling of peptides in realistic water molecules
|
Nakajima, Nobuyuki
|
|
1998
|
288 |
2-4 |
p. 319-326
8 p.
|
artikel
|
| 7 |
A theoretical study on the decomposition mechanism of β-propiolactone and β-butyrolactone
|
Safont, V.S
|
|
1998
|
288 |
2-4 |
p. 261-269
9 p.
|
artikel
|
| 8 |
Benchmark full-CI calculation on C2H2: comparison with (SC)2-CI and other truncated-CI approaches
|
Ben-Amor, Nadia
|
|
1998
|
288 |
2-4 |
p. 348-355
8 p.
|
artikel
|
| 9 |
Cadmium selenide semiconductor nanocrystals: a theoretical study
|
Eichkorn, Karin
|
|
1998
|
288 |
2-4 |
p. 235-242
8 p.
|
artikel
|
| 10 |
Calculation of temperature dependence of free energy caused by potential function changes
|
Ikeguchi, Mitsunori
|
|
1998
|
288 |
2-4 |
p. 333-337
5 p.
|
artikel
|
| 11 |
Calculation of the Raman optical activity via the sum-over-states expansion
|
Bouř, Petr
|
|
1998
|
288 |
2-4 |
p. 363-370
8 p.
|
artikel
|
| 12 |
Calculations of circular intensity differences in electric-field-induced second harmonic generation
|
Jonsson, Dan
|
|
1998
|
288 |
2-4 |
p. 371-376
6 p.
|
artikel
|
| 13 |
Collisional quenching of Ga(5p) atoms by H2, D2 and CH4
|
Lee, K.
|
|
1998
|
288 |
2-4 |
p. 531-537
7 p.
|
artikel
|
| 14 |
Cross sections of electron impact ionization of ethylene
|
Tian, Cechan
|
|
1998
|
288 |
2-4 |
p. 499-503
5 p.
|
artikel
|
| 15 |
Electric field effects on the geometry and vibrations of charged molecules: the hydroxide ion case
|
Kairys, Visvaldas
|
|
1998
|
288 |
2-4 |
p. 423-428
6 p.
|
artikel
|
| 16 |
Electrostatic nature of catalytic effects resulting from Si>Al substitutions in ZMS-5 zeolite
|
Dziekoński, P.
|
|
1998
|
288 |
2-4 |
p. 538-544
7 p.
|
artikel
|
| 17 |
Endoergic reactions of hyperthermal C(3P) with methane and acetylene
|
Scholefield, M.R
|
|
1998
|
288 |
2-4 |
p. 487-493
7 p.
|
artikel
|
| 18 |
Erratum to “Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r 12-) MR-CI: the ground state potential energy curve of N2”
|
Gdanitz, Robert J
|
|
1998
|
288 |
2-4 |
p. 590-592
3 p.
|
artikel
|
| 19 |
Erratum to: “Photochemical ring opening in nitrospiropyrans: triplet pathway and the role of singlet molecular oxygen”
|
Görner, Helmut
|
|
1998
|
288 |
2-4 |
p. 589-
1 p.
|
artikel
|
| 20 |
Excited state dynamics of 9,9'-bianthryl clusters with H2O and Ar
|
Ishida, Tateki
|
|
1998
|
288 |
2-4 |
p. 433-440
8 p.
|
artikel
|
| 21 |
Femtosecond third-order optical nonlinearity of C60 and its derivative at a wavelength of 810 nm
|
Li, Jianliang
|
|
1998
|
288 |
2-4 |
p. 175-178
4 p.
|
artikel
|
| 22 |
High-resolution infrared spectrum of the ν 3 band in Ar–HCO+
|
Linnartz, Harold
|
|
1998
|
288 |
2-4 |
p. 504-508
5 p.
|
artikel
|
| 23 |
Interaction effects on electric susceptibilities: A model study of polarizabilities of the Be atom embedded in He clusters
|
Papadopoulos, Manthos G
|
|
1998
|
288 |
2-4 |
p. 377-382
6 p.
|
artikel
|
| 24 |
Intercalation and partial exfoliation of single-walled carbon nanotubes by nitric acid
|
Bower, C.
|
|
1998
|
288 |
2-4 |
p. 481-486
6 p.
|
artikel
|
| 25 |
Laser-induced fluorescence studies of jet-cooled CF2: determination of Ã-state stretching frequencies
|
Wang, Chuji
|
|
1998
|
288 |
2-4 |
p. 473-480
8 p.
|
artikel
|
| 26 |
Low-energy electron beam induced dissociation of methyl groups chemisorbed on semiconductor surfaces: (CH3)3Al adsorbed on GaAs and InSb
|
Mulcahy, C.P.A
|
|
1998
|
288 |
2-4 |
p. 203-208
6 p.
|
artikel
|
| 27 |
Low-temperature measurements of the atomic association reaction Ar++2Ar→Ar2 ++Ar
|
Hamon, S.
|
|
1998
|
288 |
2-4 |
p. 523-526
4 p.
|
artikel
|
| 28 |
Modeling stabilization of SiO bonds by Pd/Pt complexes using density functional theory
|
Uzan, Olivier
|
|
1998
|
288 |
2-4 |
p. 356-362
7 p.
|
artikel
|
| 29 |
Molecular structure of the fullerene C70 at 825°C:
|
Mordasini, Tiziana Z.
|
|
1998
|
288 |
2-4 |
p. 183-187
5 p.
|
artikel
|
| 30 |
Motion of wave-packets using the smooth-exterior-scaling complex potential
|
Zavin, Raya
|
|
1998
|
288 |
2-4 |
p. 413-417
5 p.
|
artikel
|
| 31 |
Multiple-quantum cross-polarization in MAS NMR of quadrupolar nuclei
|
Ashbrook, Sharon E.
|
|
1998
|
288 |
2-4 |
p. 509-517
9 p.
|
artikel
|
| 32 |
Nanoengineering of optical resonances
|
Oldenburg, S.J
|
|
1998
|
288 |
2-4 |
p. 243-247
5 p.
|
artikel
|
| 33 |
On perturbation expansions of the extended Koopmans' theorem
|
Olsen, Jeppe
|
|
1998
|
288 |
2-4 |
p. 282-288
7 p.
|
artikel
|
| 34 |
On the application of the Kohn–Sham theory to the calculation of potential energy curves
|
Moscardó, Federico
|
|
1998
|
288 |
2-4 |
p. 418-422
5 p.
|
artikel
|
| 35 |
On the interrelations between charge and mass densities within a double layer
|
Danielewicz-Ferchmin, I
|
|
1998
|
288 |
2-4 |
p. 197-202
6 p.
|
artikel
|
| 36 |
Optical properties of CdSe nanoparticle films prepared by chemical deposition and sol–gel methods
|
Lifshitz, E
|
|
1998
|
288 |
2-4 |
p. 188-196
9 p.
|
artikel
|
| 37 |
Optical transient bleaching of photochromic polytungstic acid
|
Yumashev, K.V
|
|
1998
|
288 |
2-4 |
p. 567-575
9 p.
|
artikel
|
| 38 |
Phase transitions at electrochemical interfaces:
|
Pushpalatha, K.
|
|
1998
|
288 |
2-4 |
p. 216-224
9 p.
|
artikel
|
| 39 |
Photodissociation of chlorobenzene at 266 nm
|
Wang, Guang-Jun
|
|
1998
|
288 |
2-4 |
p. 429-432
4 p.
|
artikel
|
| 40 |
Photophysical properties of dodecaphenylporphyrins with different substituents
|
Li, Ming
|
|
1998
|
288 |
2-4 |
p. 459-463
5 p.
|
artikel
|
| 41 |
Planar anchoring at the smectic A-isotropic interface. A molecular dynamics simulation study
|
Bates, Martin A
|
|
1998
|
288 |
2-4 |
p. 209-215
7 p.
|
artikel
|
| 42 |
Preparation of polymer-protected semiconductor nanoparticles through the rapid expansion of supercritical fluid solution
|
Sun, Ya-Ping
|
|
1998
|
288 |
2-4 |
p. 585-588
4 p.
|
artikel
|
| 43 |
Radioactive endohedral metallofullerenes formed by prompt gamma-generated nuclear recoil implosion
|
Braun, Tibor
|
|
1998
|
288 |
2-4 |
p. 179-182
4 p.
|
artikel
|
| 44 |
Relationship of Kohn–Sham eigenvalues to excitation energies
|
Savin, A.
|
|
1998
|
288 |
2-4 |
p. 391-395
5 p.
|
artikel
|
| 45 |
Rotational magnetism in the ground and (000011) vibrational states of trifluorophosphine, PF3
|
Hüttner, W.
|
|
1998
|
288 |
2-4 |
p. 553-560
8 p.
|
artikel
|
| 46 |
Rotational spectrum of the trimethylphosphine–hydrogen fluoride complex
|
Cooke, S.A.
|
|
1998
|
288 |
2-4 |
p. 441-448
8 p.
|
artikel
|
| 47 |
Signature of crystalline order in ultra-small metal-oxide clusters
|
Reddy, B.V
|
|
1998
|
288 |
2-4 |
p. 253-260
8 p.
|
artikel
|
| 48 |
Spontaneous symmetry breaking in Bose–Einstein condensates
|
Hegstrom, Roger A.
|
|
1998
|
288 |
2-4 |
p. 248-252
5 p.
|
artikel
|
| 49 |
Structure, vibrational spectra and energetics of OBrO+
|
Francisco, Joseph S.
|
|
1998
|
288 |
2-4 |
p. 307-310
4 p.
|
artikel
|
| 50 |
Study of radical pairs generated by photoreduction of anthraquinone-2,6-disulfonic acid with thymine by Fourier transform electron paramagnetic resonance
|
Geimer, J.
|
|
1998
|
288 |
2-4 |
p. 449-458
10 p.
|
artikel
|
| 51 |
The dissociation mechanism of H2O in water studied by first-principles molecular dynamics
|
Trout, Bernhardt L
|
|
1998
|
288 |
2-4 |
p. 343-347
5 p.
|
artikel
|
| 52 |
The dynamics of the H + D/Si(001) reaction: a trajectory study based on ab initio potentials
|
Kratzer, P
|
|
1998
|
288 |
2-4 |
p. 396-402
7 p.
|
artikel
|
| 53 |
The effect of the addition of CO on the reaction of ozone with ethene
|
Horie, Osamu
|
|
1998
|
288 |
2-4 |
p. 464-472
9 p.
|
artikel
|
| 54 |
The equivalence between Floquet formalism and the multi-step approach in computing the evolution operator of a periodical time-dependent Hamiltonian
|
Ding, Shangwu
|
|
1998
|
288 |
2-4 |
p. 230-234
5 p.
|
artikel
|
| 55 |
The multi-state CASPT2 method
|
Finley, James
|
|
1998
|
288 |
2-4 |
p. 299-306
8 p.
|
artikel
|
| 56 |
Theoretical and experimental studies of unimolecular dissociation of phosphorus tribromide ions
|
Mazyar, Oleg A.
|
|
1998
|
288 |
2-4 |
p. 327-332
6 p.
|
artikel
|
| 57 |
Theoretical binding energies of lithium ions to short-chain alcohols
|
Siu, F.M
|
|
1998
|
288 |
2-4 |
p. 408-412
5 p.
|
artikel
|
| 58 |
Theoretical study on the stability of PsBr and PsI with second-order correlation energies
|
Saito, Shiro L.
|
|
1998
|
288 |
2-4 |
p. 277-281
5 p.
|
artikel
|
| 59 |
Time-resolved optical double resonance spectroscopy of the G 2 Σ + state of BaCl
|
Ludwigs, H.
|
|
1998
|
288 |
2-4 |
p. 527-530
4 p.
|
artikel
|
| 60 |
Toward engineering of very strong organic bases: pronounced proton affinity of molecules possessing imino structural and electronic motif
|
Kovačević, Borislav
|
|
1998
|
288 |
2-4 |
p. 289-292
4 p.
|
artikel
|
| 61 |
Two-state dynamics of single biomolecules in solution
|
Geva, E
|
|
1998
|
288 |
2-4 |
p. 225-229
5 p.
|
artikel
|
| 62 |
Ultrafast energy-transfer dynamics in a blend of electroluminescent conjugated polymers
|
Cerullo, G.
|
|
1998
|
288 |
2-4 |
p. 561-566
6 p.
|
artikel
|
| 63 |
Ultrafast intensity-dependent stimulated emission in conjugated polymers: The mechanism for line-narrowing
|
Doan, Vinh
|
|
1998
|
288 |
2-4 |
p. 576-584
9 p.
|
artikel
|
| 64 |
Ultrafast internal conversion and fragmentation in electronically excited C2H4 and C2H3Cl molecules
|
Farmanara, P
|
|
1998
|
288 |
2-4 |
p. 518-522
5 p.
|
artikel
|
| 65 |
Universal reaction field model based on ab initio Hartree–Fock theory
|
Li, Jiabo
|
|
1998
|
288 |
2-4 |
p. 293-298
6 p.
|
artikel
|
| 66 |
Validation of photodissociation models using Raman excitation Profiles: an application to IBr
|
K, Vandana
|
|
1998
|
288 |
2-4 |
p. 545-552
8 p.
|
artikel
|
| 67 |
Variational wave packet method for dissipative photodesorption problems
|
Pesce, Lorenzo
|
|
1998
|
288 |
2-4 |
p. 383-390
8 p.
|
artikel
|
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