| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying π⋯π interactions
|
Josa , Daniela
|
|
2013
|
557 |
C |
p. 170-175
6 p.
|
artikel
|
| 2 |
An approximate quantum mechanical study of the N+O→NO+ +e− associative ionisation
|
Skouteris, Dimitrios
|
|
2013
|
557 |
C |
p. 43-48
6 p.
|
artikel
|
| 3 |
Cascade organic solar cells with energy-level-matched three photon-harvesting layers
|
Sim, Myungsun
|
|
2013
|
557 |
C |
p. 88-91
4 p.
|
artikel
|
| 4 |
CH⋯π and π⋯π interaction in benzene–acetylene clusters
|
Majumder, Moumita
|
|
2013
|
557 |
C |
p. 59-65
7 p.
|
artikel
|
| 5 |
Computational prediction of hydrogen sulfide and methane separation at room temperature by anatase titanium dioxide
|
Sun, Chenghua
|
|
2013
|
557 |
C |
p. 106-109
4 p.
|
artikel
|
| 6 |
Contents
|
|
|
2013
|
557 |
C |
p. iii-xii
nvt p.
|
artikel
|
| 7 |
Contribution of van der Waals interactions to the adsorption energy of C2H2, C2H4, and C6H6 on Si(100)
|
Kim , Sun-Woo
|
|
2013
|
557 |
C |
p. 159-162
4 p.
|
artikel
|
| 8 |
Crystalline and tensile properties of carbon nanotube and graphene reinforced polyamide 12 fibers
|
Chatterjee, S.
|
|
2013
|
557 |
C |
p. 92-96
5 p.
|
artikel
|
| 9 |
Dynamics and structural changes induced by ATP and/or substrate binding in the inward-facing conformation state of P-glycoprotein
|
Watanabe, Yurika
|
|
2013
|
557 |
C |
p. 145-149
5 p.
|
artikel
|
| 10 |
Dynamic self assembly of confined active nanoparticles
|
Chen, Yanping
|
|
2013
|
557 |
C |
p. 76-79
4 p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
2013
|
557 |
C |
p. IFC-
1 p.
|
artikel
|
| 12 |
Erratum to “Assessing the importance of Van der Waals interactions on the adsorption of azobenzene on the rutile TiO2(110) surface” [Chem. Phys. Lett. 545 (2012) 60]
|
Prates Ramalho, J.P.
|
|
2013
|
557 |
C |
p. 194-
1 p.
|
artikel
|
| 13 |
ESR study of spin relaxation in graphene
|
Augustyniak-Jabłokow, Maria A.
|
|
2013
|
557 |
C |
p. 118-122
5 p.
|
artikel
|
| 14 |
Evaluation of the interlayer interactions of few layers of graphene
|
Tsurumi, Junto
|
|
2013
|
557 |
C |
p. 114-117
4 p.
|
artikel
|
| 15 |
First-principles study of cubane-type ZnO: Another ZnO polymorph
|
Zhang, Shengli
|
|
2013
|
557 |
C |
p. 102-105
4 p.
|
artikel
|
| 16 |
Geometry and electronic structure of neutral and charged B21 clusters
|
Casillas, Ruben
|
|
2013
|
557 |
C |
p. 15-18
4 p.
|
artikel
|
| 17 |
Improved functionalization and recovery of carboxylated carbon nanotubes using the acoustic cavitation approach
|
Ng, Chee Meng
|
|
2013
|
557 |
C |
p. 97-101
5 p.
|
artikel
|
| 18 |
Incipient chemical bond formation of Xe to a cationic silicon cluster: Vibrational spectroscopy and structure of the Si4Xe+ complex
|
Savoca, Marco
|
|
2013
|
557 |
C |
p. 49-52
4 p.
|
artikel
|
| 19 |
Investigation of the local structure and EPR spectra for Nd3+ in Bi4Ge3O12
|
Li, Hui
|
|
2013
|
557 |
C |
p. 182-185
4 p.
|
artikel
|
| 20 |
Lowest energy vibrational modes of some naphthalene derivatives: Azulene, quinoline, isoquinoline – Experiment and theory
|
Martin-Drumel, M.A.
|
|
2013
|
557 |
C |
p. 53-58
6 p.
|
artikel
|
| 21 |
Manifestation of strong quadrupole light-molecule interaction in the SEIRA spectra of some symmetrical molecules
|
Polubotko, A.M.
|
|
2013
|
557 |
C |
p. 186-190
5 p.
|
artikel
|
| 22 |
Observation of the Δv =−4 vibronic sequence of the C2 Swan system
|
Yeung, Shun-Hin
|
|
2013
|
557 |
C |
p. 31-36
6 p.
|
artikel
|
| 23 |
On the contribution of non-additive three-body interactions to the third virial coefficient of para-hydrogen
|
Garberoglio , Giovanni
|
|
2013
|
557 |
C |
p. 26-30
5 p.
|
artikel
|
| 24 |
On the failure of sustained oscillations in the bromate/hypophosphite–acetone/dual catalyst flow system
|
Nogueira, Paulo A.
|
|
2013
|
557 |
C |
p. 191-193
3 p.
|
artikel
|
| 25 |
On the use of Bader’s atomic charges for the evaluation of charge transfers between ground and excited states
|
Tognetti, Vincent
|
|
2013
|
557 |
C |
p. 150-153
4 p.
|
artikel
|
| 26 |
Pairing and unpairing electron densities in organic systems: [1.1.1]Propellane case
|
Lobayan, Rosana M.
|
|
2013
|
557 |
C |
p. 154-158
5 p.
|
artikel
|
| 27 |
Role of biologically active inorganic anions Cl− and Br− in inclusion complex formation of α-cyclodextrin with some aromatic carboxylic acids
|
Terekhova, Irina
|
|
2013
|
557 |
C |
p. 134-139
6 p.
|
artikel
|
| 28 |
Solving a coupled perturbed equation by the residual cutting method
|
Abe , Toshihiko
|
|
2013
|
557 |
C |
p. 176-181
6 p.
|
artikel
|
| 29 |
Spatial spin-charge separation in neutral endohedral metallofullerene: A combined restricted open-shell MP2 and Car–Parrinello molecular dynamics study
|
Chattopadhyaya, Mausumi
|
|
2013
|
557 |
C |
p. 71-75
5 p.
|
artikel
|
| 30 |
Stability and dynamics of vacancy in graphene flakes: Edge effects
|
Santana , Adriano
|
|
2013
|
557 |
C |
p. 80-87
8 p.
|
artikel
|
| 31 |
Structural dependence of magnetic exchange coupling parameters in transition-metal complexes
|
Melo , Juan I.
|
|
2013
|
557 |
C |
p. 110-113
4 p.
|
artikel
|
| 32 |
Structure of 1-naphthol–water clusters in the S1 state studied by UV–IR fluorescence dip spectroscopy and ab initio molecular orbital calculations
|
Shimizu, Toshihiko
|
|
2013
|
557 |
C |
p. 19-25
7 p.
|
artikel
|
| 33 |
Substituent R-effects on the core–electron excitation spectra of hydrogen-bonded carboxylic-acid (R–COOH) clusters: Comparison between acetic-acid and formic-acid clusters
|
Tabayashi, K.
|
|
2013
|
557 |
C |
p. 1-9
9 p.
|
artikel
|
| 34 |
The effect of carbon nanotubes on chiral chemical reactions
|
Rance, Graham A.
|
|
2013
|
557 |
C |
p. 10-14
5 p.
|
artikel
|
| 35 |
Theoretical exploration to the substituting effect on second-order nonlinear optical properties for lacunary γ-Keggin polyoxometalates
|
Zhang, Ting
|
|
2013
|
557 |
C |
p. 123-128
6 p.
|
artikel
|
| 36 |
Theoretical study of zeatin – A plant hormone and potential drug for neural diseases – On the basis of DFT, MP2 and target docking
|
Liu, Xueping
|
|
2013
|
557 |
C |
p. 140-144
5 p.
|
artikel
|
| 37 |
Thermochemistry and kinetics of the trans - N 2 H 2 + N reaction
|
Spada , Rene F.K.
|
|
2013
|
557 |
C |
p. 37-42
6 p.
|
artikel
|
| 38 |
Transition rate of aligned coupled electrical dipoles between equivalent stable equilibrium configurations
|
Battezzati, M.
|
|
2013
|
557 |
C |
p. 163-169
7 p.
|
artikel
|
| 39 |
Two-photon excitations of the Cs2 3 3 Σ g + state: Assignment and analysis with the deformed ab initio potential
|
Sovkov , V.B.
|
|
2013
|
557 |
C |
p. 66-70
5 p.
|
artikel
|
| 40 |
Ultrafast exciton dynamics in colloidal aluminum phosphide nanocrystals
|
Busby, Erik
|
|
2013
|
557 |
C |
p. 129-133
5 p.
|
artikel
|
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