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                             24 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4 Maldonado, Alejandro F.
2015
459 C p. 125-130
6 p.
artikel
2 Analysis of librational modes of ice XI studied by Car–Parrinello molecular dynamics Gług, Maciej
2015
459 C p. 102-111
10 p.
artikel
3 Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: Experimental and theoretical insights André, Rafaela S.
2015
459 C p. 87-95
9 p.
artikel
4 Contents 2015
459 C p. iii-viii
nvt p.
artikel
5 DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck–Condon and Herzberg–Teller approaches including Duschinsky effect Karaush, Nataliya N.
2015
459 C p. 65-71
7 p.
artikel
6 Different dynamic behaviors of the dissociation and recombination reactions in a model calculation of polyethylene by first-principles steered molecular dynamics simulation Higuchi, Yuji
2015
459 C p. 96-101
6 p.
artikel
7 Effect of the band structure of the electrodes on the non-adiabatic electron tunneling through a one-level redox molecule Medvedev, Igor G.
2015
459 C p. 155-171
17 p.
artikel
8 Extracting dimer structures from simulations of organic-based materials using QM/MM methods Pérez-Jiménez, A.J.
2015
459 C p. 112-124
13 p.
artikel
9 Formation and annihilation of positronium in silica aerogels under atmosphere of oxygen and nitrogen mixture Zhou, Yawei
2015
459 C p. 81-86
6 p.
artikel
10 IFC (Editorial Board) 2015
459 C p. IFC-
1 p.
artikel
11 Investigation of oxygen vibrational relaxation by quasi-classical trajectory method Andrienko, Daniil
2015
459 C p. 1-13
13 p.
artikel
12 Ion assisted structural collapse of a single stranded DNA: A molecular dynamics approach Ghosh, Soumadwip
2015
459 C p. 137-147
11 p.
artikel
13 Long range electron transfer reactions in solution: An analytically solvable model Diwaker,
2015
459 C p. 19-23
5 p.
artikel
14 Molecular motion in phases II and III of CsHSO4 by static NMR and MAS NMR Lim, Ae Ran
2015
459 C p. 59-64
6 p.
artikel
15 Multireference configuration interaction study of dichlorocarbene Sun, Erping
2015
459 C p. 54-58
5 p.
artikel
16 Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene Ohta, Ayumi
2015
459 C p. 45-53
9 p.
artikel
17 Off-center instability of Nb5+ in KNbO3 under ambient pressure Polinger, Victor
2015
459 C p. 72-80
9 p.
artikel
18 On the directional character of orbital compression: A model study of the electric properties of LiH–(He) n complexes Chołuj, Marta
2015
459 C p. 24-30
7 p.
artikel
19 p-N,N′-tetraacetylodiaminodurene. The structure and vibrational spectra Bator, G.
2015
459 C p. 148-154
7 p.
artikel
20 Structural and electronic properties of V2B n (n =1–10) clusters Zhang, Li-Nan
2015
459 C p. 131-136
6 p.
artikel
21 The binding of small carbazole derivative (P7C3) to protofibrils of the Alzheimer’s disease and β-secretase: Molecular dynamics simulation studies Faghih, Zeinab
2015
459 C p. 31-39
9 p.
artikel
22 The chemistry of Coulomb blockade diamonds for 1,4-diamino-benzene Olsen, Stine T.
2015
459 C p. 40-44
5 p.
artikel
23 Triptycene-modified linkers of MOFs for methane sorption enhancement: A molecular simulation study Volkova, Evgeniya I.
2015
459 C p. 14-18
5 p.
artikel
24 Unusual interfacial phenomena at a surface of fullerite and carbon nanotubes Gun’ko, Vladimir M.
2015
459 C p. 172-185
14 p.
artikel
                             24 gevonden resultaten
 
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