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                             49 results found
no title author magazine year volume issue page(s) type
1 Ab initio molecular dynamics: Plane waves vs. local basis Raynaud, Christophe
 2005
 414 1-3 p. 161-165
5 p.
 article
2 Adiabatic half-passage pulses for measuring the polarization of highly non-equilibrium spin-systems Oregioni, Alain
 2005
 414 1-3 p. 102-106
5 p.
 article
3 A new fullerene C60–didodecyloxy benzene dyad: An evidence for ground state electron transfer Gayathri, S. Shankara
 2005
 414 1-3 p. 198-203
6 p.
 article
4 Coupled valence bond theory Havenith, Remco W.A.
 2005
 414 1-3 p. 1-5
5 p.
 article
5 Decomposition of CF2HCl molecules by femtosecond laser radiation Apatin, V.M.
 2005
 414 1-3 p. 76-81
6 p.
 article
6 Does the Co+-assisted decarbonylation of acetaldehyde occur via C–C or C–H activation? A theoretical investigation using density functional theory Zhao, Lianming
 2005
 414 1-3 p. 28-33
6 p.
 article
7 Double quantum coherence electron spin resonance on coupled Cu(II)–Cu(II) electron spins Becker, James S.
 2005
 414 1-3 p. 248-252
5 p.
 article
8 Editorial Board 2005
 414 1-3 p. CO2-
1 p.
 article
9 Effect of protic solvents on twisted intramolecular charge transfer state formation in coumarin-152 and coumarin-481 dyes Dahiya, P.
 2005
 414 1-3 p. 148-154
7 p.
 article
10 Efficient calculation of coupled Kohn–Sham dynamic susceptibility functions and dispersion energies with density fitting Bukowski, Robert
 2005
 414 1-3 p. 111-116
6 p.
 article
11 Ejection of triatomic hydrogen molecular ion from methanol in intense laser fields Furukawa, Yusuke
 2005
 414 1-3 p. 117-121
5 p.
 article
12 Electric field induced quenching of the fluorescence of a conjugated polymer probed at the single molecule level Hania, P.R.
 2005
 414 1-3 p. 127-131
5 p.
 article
13 Electronic coupling matrix elements of U-shaped donor-bridge-acceptor molecules and influence of mediated benzene solvent Lu, Shen-Zhuang
 2005
 414 1-3 p. 71-75
5 p.
 article
14 Evidence for the formation of radical anion in the reductive cleavage of carbon–bromine bond in 4′-bromomethylbiphenyl-2-carbonitrile Arun Prasad, M.
 2005
 414 1-3 p. 55-60
6 p.
 article
15 Frequency upconversion involving quartets of ions in a Pr3+/Eu3+ oxyfluoroborate glass Rai, Anita
 2005
 414 1-3 p. 222-225
4 p.
 article
16 Frozen-core full-CI calculation of imaginary frequency-dependent dipole polarizabilities of ground state BeH2 and the C 6 dispersion coefficients of its homodimer Bendazzoli, Gian Luigi
 2005
 414 1-3 p. 51-54
4 p.
 article
17 Growth of vertically aligned carbon nanotubes on silicon and quartz substrate by spray pyrolysis of a natural precursor: Turpentine oil Afre, Rakesh A.
 2005
 414 1-3 p. 6-10
5 p.
 article
18 High intensity and oscillatory electroluminescence observed during porous etching of GaP in HBr and HF electrolytes Wloka, J.
 2005
 414 1-3 p. 47-50
4 p.
 article
19 Ion conducting behaviour of polymer electrolytes containing ionic liquids Singh, Boor
 2005
 414 1-3 p. 34-39
6 p.
 article
20 Ionization of excited nitrogen molecules by electron impact Kosarim, A.V.
 2005
 414 1-3 p. 215-221
7 p.
 article
21 Is there a Co–Co bond path in Co2(CO)6(μ-CO)(μ-C4H2O2)? Farrugia, Louis J.
 2005
 414 1-3 p. 122-126
5 p.
 article
22 Liquid NMA: A surprisingly realistic model for hydrogen bonding motifs in proteins Whitfield, Troy W.
 2005
 414 1-3 p. 210-214
5 p.
 article
23 Low-power homonuclear dipolar recoupling in solid-state NMR developed using optimal control theory Kehlet, Cindie
 2005
 414 1-3 p. 204-209
6 p.
 article
24 Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study Fujimoto, Kazuhiro
 2005
 414 1-3 p. 239-242
4 p.
 article
25 Microviscosity of bilayer membranes of some N-acylamino acid surfactants determined by fluorescence probe method Roy, Sumita
 2005
 414 1-3 p. 23-27
5 p.
 article
26 Molecular dynamics simulation of the M intermediate of photoactive yellow protein in the crystalline state Arai, Shohei
 2005
 414 1-3 p. 230-233
4 p.
 article
27 Molecular dynamics study of photochromic molecules probed by the mask pattern transferred transient grating technique Okamoto, Koichi
 2005
 414 1-3 p. 155-160
6 p.
 article
28 Monodromy in the water molecule Zobov, Nikolai F.
 2005
 414 1-3 p. 193-197
5 p.
 article
29 Non-enzymatic oxidation of NADH by quinones Scherbak, Nikolai
 2005
 414 1-3 p. 243-247
5 p.
 article
30 Novel multi-branched organic compounds with enhanced two-photon absorption benefiting from the strong electronic coupling Ren, Yan
 2005
 414 1-3 p. 253-258
6 p.
 article
31 Observation of orientational influences on vibrational energy transfer at metal surfaces: Rotational cooling associated with vibrational relaxation at a metal surface Wodtke, Alec M.
 2005
 414 1-3 p. 138-142
5 p.
 article
32 On the control of resonant versus non-resonant electronic transitions in molecular photodissociation Gräfe, Stefanie
 2005
 414 1-3 p. 17-22
6 p.
 article
33 On the photophysical behaviour of 4-halo-5-phenylisoxazoles Fonseca, Sofia M.
 2005
 414 1-3 p. 98-101
4 p.
 article
34 On using Fourier series and Legendre polynomials as angular basis sets for nonrotating triatomic molecules Yuan, Kai-Jun
 2005
 414 1-3 p. 180-184
5 p.
 article
35 Phase transition and ionic transport mechanism of (C4H9)4NI Asayama, Ryou
 2005
 414 1-3 p. 87-91
5 p.
 article
36 Relaxing the graphite lattice along critical directions: The effect of the electron–phonon coupling on the π electron band structure Tommasini, M.
 2005
 414 1-3 p. 166-173
8 p.
 article
37 Remarkable effect of base pairing on the geometry of guanine under electronic excitation: A theoretical investigation Shukla, M.K.
 2005
 414 1-3 p. 92-97
6 p.
 article
38 Rotational spectra of the CCCCCl radical Sumiyoshi, Yoshihiro
 2005
 414 1-3 p. 82-86
5 p.
 article
39 Second harmonic generation of a periodic mesoporous silica containing a triphenylpyrylium moiety Alvaro, Mercedes
 2005
 414 1-3 p. 66-70
5 p.
 article
40 Singular coexistence-curve diameters: Experiments and simulations Kim, Young C.
 2005
 414 1-3 p. 185-192
8 p.
 article
41 Stretching siloxanes: An ab initio molecular dynamics study Lupton, E.M.
 2005
 414 1-3 p. 132-137
6 p.
 article
42 Suppression of the excimer photoluminescence in a poly(arylene–ethynylene) co-polymer Pizzoferrato, R.
 2005
 414 1-3 p. 234-238
5 p.
 article
43 Synthesis and optical properties of single and bicrystalline ZnS nanoribbons Kar, Soumitra
 2005
 414 1-3 p. 40-46
7 p.
 article
44 Synthesis and photoluminescence property of nanostructured sol–gel indium tin oxide film on glass Kundu, Susmita
 2005
 414 1-3 p. 107-110
4 p.
 article
45 Temperature dependence of precursor–surface interactions in plasma deposition of silicon thin films Bakos, Tamas
 2005
 414 1-3 p. 61-65
5 p.
 article
46 The intermolecular potential of O2–O2 in its quintet state: An ab initio study Hernández-Lamoneda, Ramón
 2005
 414 1-3 p. 11-16
6 p.
 article
47 Theoretical study of the insertion reaction of CH3O–H by singlet alkylidenecarbenes Fang, Ran
 2005
 414 1-3 p. 174-179
6 p.
 article
48 The rotational spectra of conformers of biomolecules: Tryptophol Sanchez, Raquel
 2005
 414 1-3 p. 226-229
4 p.
 article
49 Vibrational studies of the reactions of acetophenone with Si(100)–2×1 Huang, Hai Gou
 2005
 414 1-3 p. 143-147
5 p.
 article
                             49 results found
 
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