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                             28 results found
no title author magazine year volume issue page(s) type
1 A comparison of ab initio optical rotations obtained with static and dynamic methods Polavarapu, Prasad L.
 1998
 296 1-2 p. 105-110
6 p.
 article
2 An ab initio study on the reaction NH2+CH4 →NH3+CH3 Yu, Yong-Xue
 1998
 296 1-2 p. 131-136
6 p.
 article
3 An implementation of the Deutsch–Jozsa algorithm on a three-qubit NMR quantum computer Linden, Noah
 1998
 296 1-2 p. 61-67
7 p.
 article
4 A perturbation theory using a local potential from Hartree–Fock orbitals Manby, F.R.
 1998
 296 1-2 p. 1-7
7 p.
 article
5 Catalytic growth of single-wall carbon nanotubes from metal particles Hafner, Jason H.
 1998
 296 1-2 p. 195-202
8 p.
 article
6 Dirac–Fock–Slater calculations for diatomic molecules with a finite element defect correction method (FEM-DKM) Düsterhöft, C.
 1998
 296 1-2 p. 77-83
7 p.
 article
7 Direct measurement of 1 CH 2 in flames by cavity ringdown laser absorption spectroscopy McIlroy, Andrew
 1998
 296 1-2 p. 151-158
8 p.
 article
8 Efficient calculation of time- and frequency-resolved spectra: a mixed non-perturbative/perturbative approach Hahn, Susanne
 1998
 296 1-2 p. 137-145
9 p.
 article
9 Examination of the A-band short-time photodissociation dynamics of the equatorial conformer of iodocyclohexane Zheng, Xuming
 1998
 296 1-2 p. 173-182
10 p.
 article
10 Exchange of interlayer terephthalate anions from a Mg–Al layered double hydroxide: formation of intermediate interstratified phases Kaneyoshi, Masami
 1998
 296 1-2 p. 183-187
5 p.
 article
11 Fluorination of single-wall carbon nanotubes Mickelson, E.T.
 1998
 296 1-2 p. 188-194
7 p.
 article
12 Magnetic properties of 2,5-difluorophenyl-α-nitronyl nitroxide and related position isomers Nakatsuji, Shin'ichi
 1998
 296 1-2 p. 159-166
8 p.
 article
13 MD–DIM simulations of the 3 Π g (ion-pair)→ 3 Π u (valence) red-shifted transitions of Cl2 in neon matrices Grigorenko, B.L.
 1998
 296 1-2 p. 84-92
9 p.
 article
14 Medium enhanced, electron stimulated desorption of CF3 − from condensed CF3I Le Coat, Yvonick
 1998
 296 1-2 p. 208-214
7 p.
 article
15 Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of water Borin, Ivana A.
 1998
 296 1-2 p. 125-130
6 p.
 article
16 NMR of surfaces: sub-monolayer sensitivity with hyperpolarized 129 Xe Jänsch, H.J.
 1998
 296 1-2 p. 146-150
5 p.
 article
17 NO on copper clusters Holmgren, Lotta
 1998
 296 1-2 p. 167-172
6 p.
 article
18 Numerical solutions of the Schrödinger equation directly or perturbatively by a genetic algorithm: test cases Chaudhury, Pinaki
 1998
 296 1-2 p. 51-60
10 p.
 article
19 Rate constants for the deactivation of N(2 2 D) by simple hydride and deuteride molecules Umemoto, Hironobu
 1998
 296 1-2 p. 203-207
5 p.
 article
20 Relativistic multireference Møller–Plesset perturbation theory based on multiconfigurational Dirac–Fock reference functions Vilkas, Marius J.
 1998
 296 1-2 p. 68-76
9 p.
 article
21 Spin–orbit corrections to NMR shielding constants from density functional theory. How important are the two-electron terms? Malkina, O.L.
 1998
 296 1-2 p. 93-104
12 p.
 article
22 Statistical analysis of the recoil energy distributions in the products of the unimolecular dissociations of NO2 and C2O Bonnet, L.
 1998
 296 1-2 p. 19-24
6 p.
 article
23 Structure-to-property relations for two-photon absorption of hydrocarbon oligomers Norman, Patrick
 1998
 296 1-2 p. 8-18
11 p.
 article
24 The 2 B 1 shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method Mahalakshmi, S.
 1998
 296 1-2 p. 43-50
8 p.
 article
25 The inversion potential for NH3 using a DFT approach Aquino, N.
 1998
 296 1-2 p. 111-116
6 p.
 article
26 Transition moment function, transition probabilities, and radiative lifetimes in the A  1 Π –X  1 Σ + system of the CS molecule Ornellas, Fernando R.
 1998
 296 1-2 p. 25-33
9 p.
 article
27 Triple excitation effects in coupled-cluster calculations of frequency-dependent hyperpolarizabilities Gauss, Jürgen
 1998
 296 1-2 p. 117-124
8 p.
 article
28 Two-excited-state reversible reactions and fluorescence depolarization in uniaxially organized molecular media Fisz, J.J.
 1998
 296 1-2 p. 34-42
9 p.
 article
                             28 results found
 
 Koninklijke Bibliotheek - National Library of the Netherlands