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                             34 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio theoretical study of the electronic structure, stability and bonding of dialkali halide cations Sannigrahi, A.B.
 1993
 204 1-2 p. 73-79
7 p.
 artikel
2 Accurate modeling of intermolecular forces: a systematic Møller-Plesset study of the argon dimer using correlation consistent basis sets Woon, David E.
 1993
 204 1-2 p. 29-35
7 p.
 artikel
3 A DVR based time-dependent wave packet treatment for reactive scattering Sharafeddin, Omar
 1993
 204 1-2 p. 190-196
7 p.
 artikel
4 A fullerene without a spiral Manolopoulos, David E.
 1993
 204 1-2 p. 1-7
7 p.
 artikel
5 A simple method of accelerating monotonic sequences Sarkar, B.
 1993
 204 1-2 p. 211-216
6 p.
 artikel
6 Calculations of NMR shielding constants beyond uncoupled density functional theory. IGLO approach Malkin, V.G.
 1993
 204 1-2 p. 87-95
9 p.
 artikel
7 Calculations of NMR shielding constants by uncoupled density functional theory Malkin, V.G.
 1993
 204 1-2 p. 80-86
7 p.
 artikel
8 Charge transfer satellites in X-ray photoelectron spectra of lanthanum in SrZrO3 lattice Ding, Weiping
 1993
 204 1-2 p. 119-122
4 p.
 artikel
9 Direct measurement of the low-lying singlet excited (2 1Ag) state of a linear carotenoid, neurosporene, in solution Mimuro, Mamoru
 1993
 204 1-2 p. 101-105
5 p.
 artikel
10 Dispersed emission spectrum of NH2 (Ã 2A1) in the ultraviolet laser photolysis of HN3 and the mechanism of formation Yamasaki, Katsuyoshi
 1993
 204 1-2 p. 106-110
5 p.
 artikel
11 Do small fullerenes exist only on the computer? Experimental results on C=/− 20 and C+/− 24 von Helden, G.
 1993
 204 1-2 p. 15-22
8 p.
 artikel
12 Early quantum chemistry of polyenes. Useful stimulus in research on conducting polymers Kuhn, Hans
 1993
 204 1-2 p. 206-210
5 p.
 artikel
13 Energy derivative versus expectation value approach: the dipole moment of CO Ernzerhof, M.
 1993
 204 1-2 p. 59-64
6 p.
 artikel
14 Energy partitioning in hyperthermal O+ + H2O charge-transfer collisions Dressler, Rainer D.
 1993
 204 1-2 p. 111-118
8 p.
 artikel
15 Equivalence between dynamical averaging methods of the Schrödinger equation: average Hamiltonian, secular averaging and Van Vleck transformation Llor, A.
 1993
 204 1-2 p. 217-218
2 p.
 artikel
16 FT-EPR study of triplet state C60. Spin dynamics and electron transfer quenching Steren, Carlos A.
 1993
 204 1-2 p. 23-28
6 p.
 artikel
17 Fullereneynes: a new family of porous fullerenes Baughman, Ray H.
 1993
 204 1-2 p. 8-14
7 p.
 artikel
18 Gas-phase copper carbide clusters Yamada, Y.
 1993
 204 1-2 p. 133-138
6 p.
 artikel
19 Ground and excited state intramolecular proton transfer in OCCNN ring Duan, Xiaofeng
 1993
 204 1-2 p. 36-44
9 p.
 artikel
20 High-resolution IR study of the NCCCH-CO complex Yang, X.
 1993
 204 1-2 p. 145-151
7 p.
 artikel
21 Laser vaporization generation of HA1OH, DA1OD and HAl17 OH for neon and argon matrix isolation electron spin resonance investigations. Comparison with theoretical calculations Knight Jr., Lon B.
 1993
 204 1-2 p. 168-174
7 p.
 artikel
22 Mass spectroscopic studies of protonation to amino-acid molecules in atmospheric pressure spray Hirabayashi, Atsumu
 1993
 204 1-2 p. 152-156
5 p.
 artikel
23 Non-Lorentzian hole-burning line shapes in dye-surface systems Sauter, B.
 1993
 204 1-2 p. 157-162
6 p.
 artikel
24 Photophysical properties of pyrene in zeolites. Observation of pyrene anion radicals in zeolites X and Y Liu, Xinsheng
 1993
 204 1-2 p. 163-167
5 p.
 artikel
25 Radiation damping effects on NMR signal intensities Mao, Xi-an
 1993
 204 1-2 p. 123-127
5 p.
 artikel
26 The ground-state stabilization of the keto tautomer of 7-hydroxyquinoline in methanol/argon matrices at 10 K Lavin, Anita
 1993
 204 1-2 p. 96-100
5 p.
 artikel
27 The NF2H+. and NH2F+. radical cations: conventional structures or ion-molecule complexes? A GAUSSIAN-1 study Grandinetti, Felice
 1993
 204 1-2 p. 53-58
6 p.
 artikel
28 The observation of pseudorotating lithium and potassium clusters Li5 and K7 in an adamantane matrix Howard, J.A.
 1993
 204 1-2 p. 128-132
5 p.
 artikel
29 Thermal rate constants of multi-mode systems for the price of one: aziridine Rom, Naomi
 1993
 204 1-2 p. 175-182
8 p.
 artikel
30 The torsional potential energy function of N2O4 Koput, J.
 1993
 204 1-2 p. 183-189
7 p.
 artikel
31 Transition structures for H2 elimination from XH4 hypervalent species (X = S, Se and Te). Ab initio MO study Moc, Jerzy
 1993
 204 1-2 p. 65-72
8 p.
 artikel
32 Van der Waals stretching and bending force constants from the rotational spectrum of argon… 1,3,5-trioxane Legon, A.C.
 1993
 204 1-2 p. 139-144
6 p.
 artikel
33 Vibrational predissociation in hydrogen-bonded OH…O complexes via OH stretch-OO stretch energy transfer Staib, Arnulf
 1993
 204 1-2 p. 197-205
9 p.
 artikel
34 Vibrational relaxation of I− 2 in water and ethanol: molecular dynamics simulation Benjamin, Ilan
 1993
 204 1-2 p. 45-52
8 p.
 artikel
                             34 gevonden resultaten
 
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