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                             40 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A new four-dimensional potential energy surface of the Ar–CS2 complex: Dependence on the symmetric and antisymmetric stretching vibrations of CS2 Shang, Jing
 2016
 648 C p. 147-151
5 p.
 artikel
2 A screened automated structural search with semiempirical methods Ota, Yukihiro
 2016
 648 C p. 119-123
5 p.
 artikel
3 A theoretical investigation on the transport properties of armchair biphenylene nanoribbons Ge, Hongyu
 2016
 648 C p. 97-101
5 p.
 artikel
4 Comment on “Quantum trajectory tests of radical-pair quantum dynamics in CIDNP measurements of photosynthetic reaction centers” [Chem. Phys. Lett. 640 (2015) 40–45] Jeschke, G.
 2016
 648 C p. 200-203
4 p.
 artikel
5 Computational studies on linear, second and third-order nonlinear optical properties of novel styrylquinolinium dyes Karakas, A.
 2016
 648 C p. 47-52
6 p.
 artikel
6 Contents 2016
 648 C p. iii-xii
nvt p.
 artikel
7 Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation Ji, Pengfei
 2016
 648 C p. 109-113
5 p.
 artikel
8 Corrigendum to “The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra” [Chem. Phys. Lett. 639 (2015) 320–325] Longhi, Giovanna
 2016
 648 C p. 208-
1 p.
 artikel
9 Determination of enthalpies of formation of energetic molecules with composite quantum chemical methods Manaa, M. Riad
 2016
 648 C p. 31-35
5 p.
 artikel
10 Editorial Board 2016
 648 C p. IFC-
1 p.
 artikel
11 Effect of chemical and physical doping with iodine on the optical and dielectric properties of poly(vinyl chloride) El-Ghamaz, N.A.
 2016
 648 C p. 66-74
9 p.
 artikel
12 Electric behavior of interlayer water in graphene oxide films Smirnov, V.A.
 2016
 648 C p. 87-90
4 p.
 artikel
13 Electric field induced modification of magnetism in platinum tripod on pt (111) surface Rana, T.H.
 2016
 648 C p. 156-160
5 p.
 artikel
14 Electron density topography based model to explore N-methyl-d-aspartate receptor channel blockers Ingle, Snehal V.
 2016
 648 C p. 53-59
7 p.
 artikel
15 Enhanced microscopic nonlinear optical properties of novel Y-type chromophores with dual electron donor groups Tang, Xiang
 2016
 648 C p. 114-118
5 p.
 artikel
16 Exploring host–guest complexation mechanisms by a molecular dynamics/quantum mechanics/continuum solvent model approach Ye, Renlong
 2016
 648 C p. 170-177
8 p.
 artikel
17 Fluorescence excitation spectra of all-trans-1,6-diphenylhexatriene conformers: Adiabatic conformer equilibration in the 21Ag state Turek, Andrzej M.
 2016
 648 C p. 19-24
6 p.
 artikel
18 From gas-phase to liquid water chemical reactions: The F+(H2O) n , n =1–4 systems Li, Guoliang
 2016
 648 C p. 1-7
7 p.
 artikel
19 Gate opening effect for carbon dioxide in ZIF-8 by molecular dynamics – Confirmed, but at high CO2 pressure Chokbunpiam, T.
 2016
 648 C p. 178-181
4 p.
 artikel
20 Geometrical structure of meta-xylylene based symmetric polyradicals and their magnetic nature: A density functional study Pal, Arun K.
 2016
 648 C p. 189-194
6 p.
 artikel
21 Geometries, stabilities, and electronic properties of tungsten encapsulated nanosize irregular B n (n =20, 24, 28, and 32) fullerenes: A density functional investigation Zhao, Run-Ning
 2016
 648 C p. 41-46
6 p.
 artikel
22 Influence of the strength of polarizing electric field on free relaxation of electric birefringence in poly(butyl-isocyanate) solutions Tsvetkov, N.V.
 2016
 648 C p. 137-142
6 p.
 artikel
23 Interaction of atomic hydrogen with anthracene and polyacene from density functional theory Ferullo, Ricardo M.
 2016
 648 C p. 25-30
6 p.
 artikel
24 Location dependent orientational structure and dynamics of ethane in ZSM5 Gautam, Siddharth
 2016
 648 C p. 130-136
7 p.
 artikel
25 Mechanisms of monovacancy diffusion in graphene Wadey, Jack D.
 2016
 648 C p. 161-165
5 p.
 artikel
26 Monitoring changes of paramagnetically-shifted 31P signals in phospholipid vesicles Joyce, Rebecca E.
 2016
 648 C p. 124-129
6 p.
 artikel
27 NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strain Bhattacharjee, Satadeep
 2016
 648 C p. 166-169
4 p.
 artikel
28 Novel α- and β-type boron sheets: Theoretical insight into their structures, thermodynamic stability, and work functions Zheng, Bing
 2016
 648 C p. 81-86
6 p.
 artikel
29 OLi3O− anion: Designing the strongest base to date using OLi3 superalkali Srivastava, Ambrish Kumar
 2016
 648 C p. 152-155
4 p.
 artikel
30 Optical reflectance in free-standing smectic films Śliwa, Izabela
 2016
 648 C p. 36-40
5 p.
 artikel
31 Phase transitions in I2O5 at high pressures: Raman and X-ray diffraction studies Kim, Minseob
 2016
 648 C p. 13-18
6 p.
 artikel
32 Polyethylene glycol gold-nanoparticles: Facile nanostructuration of doxorubicin and its complex with DNA molecules for SERS detection Spadavecchia, Jolanda
 2016
 648 C p. 182-188
7 p.
 artikel
33 Reply to the comment on “Quantum trajectory tests of radical-pair quantum dynamics in CIDNP measurements of photosynthetic reaction centers” by G. Jeschke Kominis, I.K.
 2016
 648 C p. 204-207
4 p.
 artikel
34 Second- and third-order nonlinear optical properties of unsubstituted and mono-substituted chalcones Abegão, Luis M.G.
 2016
 648 C p. 91-96
6 p.
 artikel
35 Solid state synthesis and tunable luminescence of Li2SrSiO4:Eu2+/Ce3+ phosphors Wei, Zhen
 2016
 648 C p. 8-12
5 p.
 artikel
36 Spectroscopic investigation of a brightly colored psittacofulvin pigment from parrot feathers Adamec, František
 2016
 648 C p. 195-199
5 p.
 artikel
37 Structural and dipolar fluctuations in liquid water: A Car–Parrinello molecular dynamics study Skarmoutsos, Ioannis
 2016
 648 C p. 102-108
7 p.
 artikel
38 Synthesis of high saturation magnetization FeCo nanoparticles by polyol reduction method Yang, F.J.
 2016
 648 C p. 143-146
4 p.
 artikel
39 Theoretical study on spin-forbidden transitions of osmium complexes by two-component relativistic time-dependent density functional theory Imamura, Yutaka
 2016
 648 C p. 60-65
6 p.
 artikel
40 Understanding effect of structure and stability on transformation of CH4 hydrate to CO2 hydrate Liu, Jinxiang
 2016
 648 C p. 75-80
6 p.
 artikel
                             40 gevonden resultaten
 
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