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                             34 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio calculation of the torsional potential for 2-alkenylanthracene in the ground and excited states Sakata, Ken
 2001
 344 1-2 p. 185-192
8 p.
 artikel
2 Ab initio study on the electronic structures of styrene at the conical intersection Amatatsu, Yoshiaki
 2001
 344 1-2 p. 200-206
7 p.
 artikel
3 A comparative study of two QM/MM methods testing the validity of the mean field approximation Martı́n, M.E
 2001
 344 1-2 p. 107-112
6 p.
 artikel
4 A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2 Kowalski, Karol
 2001
 344 1-2 p. 165-175
11 p.
 artikel
5 A new purification method of single-wall carbon nanotubes using H2S and O2 mixture gas Jeong, Tak
 2001
 344 1-2 p. 18-22
5 p.
 artikel
6 A Quantum chemical study on the potential energy surface of Mg(1 S)+N 2 O reaction Kiran, Boggavarapu
 2001
 344 1-2 p. 213-220
8 p.
 artikel
7 A single-molecule study of the relation between the resonance frequency and the orientation of a guest molecule in a Shpol'skii system Bloeß, Andreas
 2001
 344 1-2 p. 55-60
6 p.
 artikel
8 Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2? The renormalized CCSDT(Q) study Piecuch, Piotr
 2001
 344 1-2 p. 176-184
9 p.
 artikel
9 Characterization of zinc oxide crystal whiskers grown by thermal evaporation Hu, J.Q.
 2001
 344 1-2 p. 97-100
4 p.
 artikel
10 Chemical structure, aggregate structure and optical properties of adsorbed dye molecules investigated by scanning tunnelling microscopy Janssens, G.
 2001
 344 1-2 p. 1-6
6 p.
 artikel
11 Concentration modulation spectroscopy with a pulsed slit supersonic discharge expansion source Davis, Scott
 2001
 344 1-2 p. 23-30
8 p.
 artikel
12 Density functional investigation of atmospheric sulfur chemistry II. The heat of formation of the XSO2 radicals X=H,CH3 Denis, Pablo A
 2001
 344 1-2 p. 221-228
8 p.
 artikel
13 Electron affinities of germanium anion clusters, Ge n − (n=2–5) Deutsch, P.W.
 2001
 344 1-2 p. 101-106
6 p.
 artikel
14 Franck–Condon spectral calculations on trans-hydroquinone Patwari, G.N.
 2001
 344 1-2 p. 229-235
7 p.
 artikel
15 Inelastic neutron scattering spectra of zeolite frameworks – experiment and modeling Jobic, Hervé
 2001
 344 1-2 p. 147-153
7 p.
 artikel
16 Infrared laser spectrum of the fundamental band of the boron monoxide free radical Osiac, M.
 2001
 344 1-2 p. 92-96
5 p.
 artikel
17 Infrared predissociation reaction of the hydrogen bonds in the ternary cluster cation of aniline–water–benzene+ Nakanaga, T
 2001
 344 1-2 p. 85-91
7 p.
 artikel
18 Interaction of benzidine with DNA: experimental and modelling studies Amutha, R.
 2001
 344 1-2 p. 40-48
9 p.
 artikel
19 Kinetic and mechanistic studies of the OH-initiated oxidation of dimethylsulfide at low temperature – A reevaluation of the rate coefficient and branching ratio Williams, M.B.
 2001
 344 1-2 p. 61-67
7 p.
 artikel
20 Kinetic study for the reactions of chlorine atoms with hexamethyldisiloxane, 1,1,3,3-tetramethyldisiloxane, and 1,3-dimethyldisiloxane Prosmitis, Alexandros V.
 2001
 344 1-2 p. 241-248
8 p.
 artikel
21 Line-splitting and broadening effects from 19 F in the 13 CNMR of liquid crystals and solids Antonioli, Giancarlo
 2001
 344 1-2 p. 68-74
7 p.
 artikel
22 Multiple bonding structures of C2H2 chemisorbed on Si(100) Mezhenny, S.
 2001
 344 1-2 p. 7-12
6 p.
 artikel
23 Observation of radical pair zero quantum coherence effects in the FT-EPR spectra of SO3 − and eaq − generated by photoionization of sulfite ions Bussandri, Alejandro
 2001
 344 1-2 p. 49-54
6 p.
 artikel
24 OH stretching vibrations of the phenol(H2O)1 + cation Gerhards, M.
 2001
 344 1-2 p. 113-119
7 p.
 artikel
25 On the electron–electron coalescence function in Hartree–Fock theory Koga, Toshikatsu
 2001
 344 1-2 p. 120-124
5 p.
 artikel
26 Photoinduced electron transfer from chloropromazine and promethazine to chloroalkanes accompanied by cleavage of C–Cl bond Nath, Sukhendu
 2001
 344 1-2 p. 138-146
9 p.
 artikel
27 Sequential STIRAP-based control of the HCN→CNH isomerization Kurkal, Vandana
 2001
 344 1-2 p. 125-137
13 p.
 artikel
28 Spin–orbit coupling within a two-component density functional theory approach: theory, implementation and first applications Gagliardi, Laura
 2001
 344 1-2 p. 207-212
6 p.
 artikel
29 Spin polarization mechanisms in early stages of photoinduced charge separation in surface-modified TiO2 nanoparticles Rajh, T.
 2001
 344 1-2 p. 31-39
9 p.
 artikel
30 The measurements of picosecond fluorescence lifetimes with high accuracy and subpicosecond precision Karolczak, J
 2001
 344 1-2 p. 154-164
11 p.
 artikel
31 Theoretical study of the internal rotation of cubylcubane and cubylcubane difluoride Herrera, Bárbara
 2001
 344 1-2 p. 193-199
7 p.
 artikel
32 The potential energy surfaces for AlO2 using multi-reference wave functions Pak, Michael V
 2001
 344 1-2 p. 236-240
5 p.
 artikel
33 Transition metal sulfide studies: the pure rotational spectrum of the CuS radical (X2 Π i ) Thompsen, J.M.
 2001
 344 1-2 p. 75-84
10 p.
 artikel
34 X-ray diffraction characterization on the alignment degree of carbon nanotubes Cao, Anyuan
 2001
 344 1-2 p. 13-17
5 p.
 artikel
                             34 gevonden resultaten
 
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