nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A chromophoric study of 2-ethylhexyl p-methoxycinnamate
|
Alves, Leonardo F. |
|
2011 |
516 |
4-6 |
p. 162-165 4 p. |
artikel |
2 |
A density-functional-theory study of biradicals from benzene to hexacene
|
Kim, Hyun-Jung |
|
2011 |
516 |
4-6 |
p. 141-145 5 p. |
artikel |
3 |
A joint Raman and EPR spectroscopic study on ball-milled nanographites
|
Tommasini, M. |
|
2011 |
516 |
4-6 |
p. 220-224 5 p. |
artikel |
4 |
A low temperature in situ facile technique to enhance ultraviolet emission of zinc oxide nanorods and its mechanistic insights
|
Sarkar, S. |
|
2011 |
516 |
4-6 |
p. 192-198 7 p. |
artikel |
5 |
Ambiguities in surface nonlinear spectroscopy calculations
|
Byrnes, Steven J. |
|
2011 |
516 |
4-6 |
p. 115-124 10 p. |
artikel |
6 |
A mechanism of catalyzed GTP hydrolysis by Ras protein through magnesium ion
|
Lu, Qiang |
|
2011 |
516 |
4-6 |
p. 233-238 6 p. |
artikel |
7 |
Author Index
|
|
|
2011 |
516 |
4-6 |
p. 277-281 5 p. |
artikel |
8 |
Blue or red Δν XH complexation shift in X–H⋯CO2 hydrogen-bonded complexes?
|
Szostak, Roman |
|
2011 |
516 |
4-6 |
p. 166-170 5 p. |
artikel |
9 |
CI potential energy curves for three states of RuO2+
|
Tilson, Jeffrey L. |
|
2011 |
516 |
4-6 |
p. 131-136 6 p. |
artikel |
10 |
Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D2: Checking the validity of the QCT method
|
Bonnet, L. |
|
2011 |
516 |
4-6 |
p. 137-140 4 p. |
artikel |
11 |
Computational characterization of the HOMO-2 photoemission intensity oscillations in C60
|
Toffoli, Daniele |
|
2011 |
516 |
4-6 |
p. 154-157 4 p. |
artikel |
12 |
Contents
|
|
|
2011 |
516 |
4-6 |
p. iii-xi nvt p. |
artikel |
13 |
Density functional theory prediction of geometry and vibrational circular dichroism of bridged triarylamine helicenes
|
Pandith, Altaf Hussain |
|
2011 |
516 |
4-6 |
p. 199-203 5 p. |
artikel |
14 |
Dependence of transport property of graphene nanoribbon on contacts: Electron–hole symmetry and conductance at the Dirac point
|
Zhang, G.P. |
|
2011 |
516 |
4-6 |
p. 225-229 5 p. |
artikel |
15 |
Dipole polarizability, sum rules, mean excitation energies, and long-range dispersion coefficients for buckminsterfullerene C60
|
Kumar, Ashok |
|
2011 |
516 |
4-6 |
p. 208-211 4 p. |
artikel |
16 |
Editorial Board
|
|
|
2011 |
516 |
4-6 |
p. IFC- 1 p. |
artikel |
17 |
Electron localization in nonplanar conjugated macrocycles: Failure of electron buffers to delocalize electrons
|
Yang, Yang |
|
2011 |
516 |
4-6 |
p. 268-271 4 p. |
artikel |
18 |
Evidence for bi-exponential decay of pyrene in condensed phase: Possibility of complex formation with solvent molecules
|
Roy, Partha |
|
2011 |
516 |
4-6 |
p. 182-185 4 p. |
artikel |
19 |
Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c2 in methanol
|
Jaramillo, Paula |
|
2011 |
516 |
4-6 |
p. 250-253 4 p. |
artikel |
20 |
Gaussian basis set of sextuple zeta quality for hydrogen through argon
|
Campos, C.T. |
|
2011 |
516 |
4-6 |
p. 125-130 6 p. |
artikel |
21 |
High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model
|
Sun, Xiao-Wei |
|
2011 |
516 |
4-6 |
p. 158-161 4 p. |
artikel |
22 |
Hydrogen-doped cubic diamond and the crystal structure of n-diamond
|
Wen, Bin |
|
2011 |
516 |
4-6 |
p. 230-232 3 p. |
artikel |
23 |
Intriguing hybrid nanotubes with tunable structures
|
Li, Li |
|
2011 |
516 |
4-6 |
p. 204-207 4 p. |
artikel |
24 |
Investigation of hydrogen bond in binary mixture (pyridine+propionic acid) by spectroscopy and DFT calculations
|
Chen, Yuan-Zheng |
|
2011 |
516 |
4-6 |
p. 244-249 6 p. |
artikel |
25 |
Light yield and energy transfer in a new Gd-loaded liquid scintillator
|
Aberle, C. |
|
2011 |
516 |
4-6 |
p. 257-262 6 p. |
artikel |
26 |
Molecular simulations of the competitive adsorption of siloxanes and water on amorphous silica surfaces as a function of temperature
|
Floess, Joachim K. |
|
2011 |
516 |
4-6 |
p. 216-219 4 p. |
artikel |
27 |
Nickel induced iono-covalent character of hydrogen in RbMgH3 from first principles
|
Al Alam, Adel F. |
|
2011 |
516 |
4-6 |
p. 174-176 3 p. |
artikel |
28 |
Nonlinear optical properties of lead nanocrystals embedding glass induced by thermal treatment and femtosecond laser irradiation
|
Lin, Geng |
|
2011 |
516 |
4-6 |
p. 186-191 6 p. |
artikel |
29 |
On the inhibition of AHAS by chlorimuron ethyl: A theoretical study
|
Jaña, Gonzalo A. |
|
2011 |
516 |
4-6 |
p. 239-243 5 p. |
artikel |
30 |
Probing electric field in double-layer electroluminescence diode by optical second harmonic generation
|
Lim, Eunju |
|
2011 |
516 |
4-6 |
p. 254-256 3 p. |
artikel |
31 |
Statistical properties of blinking kinetics in single molecule
|
Peng, Yonggang |
|
2011 |
516 |
4-6 |
p. 272-276 5 p. |
artikel |
32 |
Sum frequency generation study on the orientation of room-temperature ionic liquid at the graphene–ionic liquid interface
|
Baldelli, Steven |
|
2011 |
516 |
4-6 |
p. 171-173 3 p. |
artikel |
33 |
Synthesis and characterization of nitrogen-doped monolayer and multilayer graphene on TEM copper grids
|
Dai, Gui-Ping |
|
2011 |
516 |
4-6 |
p. 212-215 4 p. |
artikel |
34 |
Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations
|
Pinto, R.M. |
|
2011 |
516 |
4-6 |
p. 149-153 5 p. |
artikel |
35 |
Temporal quantum mechanics/molecular mechanics: Extending the time scales accessible in molecular dynamics simulations of reactions
|
Dayal, Prakash |
|
2011 |
516 |
4-6 |
p. 263-267 5 p. |
artikel |
36 |
Theoretical studies of nickel atoms and nickel(II) ions coordinated with CO and BF ligands
|
McDowell, Sean A.C. |
|
2011 |
516 |
4-6 |
p. 146-148 3 p. |
artikel |
37 |
Time-resolved laser-induced fluorescence spectroscopy of Nd3+ in molten LiCl–KCl eutectic
|
Jung, E.C. |
|
2011 |
516 |
4-6 |
p. 177-181 5 p. |
artikel |