| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate rotational barrier calculations with diffusion quantum Monte Carlo
|
Klahm, Sebastian
|
|
2014
|
600 |
C |
p. 7-9
3 p.
|
artikel
|
| 2 |
Accurate structural parameters and binding energy of the X 1 ̃ A 1 state of diazomethane through coupled-cluster calculations
|
Papakondylis, Aristotle
|
|
2014
|
600 |
C |
p. 103-105
3 p.
|
artikel
|
| 3 |
Adsorption of H2O2 at the surface of Ih ice, as seen from grand canonical Monte Carlo simulations
|
Picaud, Sylvain
|
|
2014
|
600 |
C |
p. 73-78
6 p.
|
artikel
|
| 4 |
Assessment of amine functionalized graphene nanoflakes for anode materials in Li-ion batteries: An ab initio study
|
Chakraborti, Himadri
|
|
2014
|
600 |
C |
p. 118-122
5 p.
|
artikel
|
| 5 |
Assessment of CCSD(T), MP2, DFT-D, CBS-QB3, and G4(MP2) methods for conformational study of alanine and proline dipeptides
|
Kang, Young Kee
|
|
2014
|
600 |
C |
p. 112-117
6 p.
|
artikel
|
| 6 |
Contents
|
|
|
2014
|
600 |
C |
p. iii-ix
nvt p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
2014
|
600 |
C |
p. IFC-
1 p.
|
artikel
|
| 8 |
Estimation of interfacial tension for immiscible and partially miscible liquid systems by Dissipative Particle Dynamics
|
Goel, Himanshu
|
|
2014
|
600 |
C |
p. 62-67
6 p.
|
artikel
|
| 9 |
Fragility and glass transition for binary mixtures of 1,2-propanediol and LiBF4
|
Terashima, Y.
|
|
2014
|
600 |
C |
p. 46-50
5 p.
|
artikel
|
| 10 |
Impact of amphiphilic triblock copolymers on stability and permeability of phospholipid/polymer hybrid vesicles
|
Shen, Wenming
|
|
2014
|
600 |
C |
p. 56-61
6 p.
|
artikel
|
| 11 |
Molecular dynamics study of mixed alkanethiols covering a gold surface at three different arrangements
|
Vasumathi, V.
|
|
2014
|
600 |
C |
p. 79-86
8 p.
|
artikel
|
| 12 |
Photon avalanche upconversion in Ho3 +–Yb3+ co-doped transparent oxyfluoride glass–ceramics
|
Babu, P.
|
|
2014
|
600 |
C |
p. 34-37
4 p.
|
artikel
|
| 13 |
Raman spectra of electrochemically hydrogenated diamond like carbon surface
|
Biswas, Hari Shankar
|
|
2014
|
600 |
C |
p. 10-14
5 p.
|
artikel
|
| 14 |
Rotational excitation of AlH by Helium and Neon at low temperature: State-to-state inelastic cross section
|
Pamboundom, M.
|
|
2014
|
600 |
C |
p. 21-28
8 p.
|
artikel
|
| 15 |
Sizes distributions of large He droplets
|
Sliter, Russell
|
|
2014
|
600 |
C |
p. 29-33
5 p.
|
artikel
|
| 16 |
Structure of Tm2 and Tm2C2 encapsulated in low-symmetry C82(C s(6)) fullerene cage by single crystal X-ray diffraction
|
Sado, Yuki
|
|
2014
|
600 |
C |
p. 38-42
5 p.
|
artikel
|
| 17 |
Suitable helical cavity, suitable alkali metal, larger first hyperpolarizability
|
Gao, Ying
|
|
2014
|
600 |
C |
p. 123-127
5 p.
|
artikel
|
| 18 |
Tautomerism in substituted cyanopyridone: Ultrafast dynamics and TDDFT studies in water
|
Saleh, Na’il
|
|
2014
|
600 |
C |
p. 1-6
6 p.
|
artikel
|
| 19 |
The bond survival time variation of polymorphic amyloid fibrils in the mechanical insight
|
Lee, Myeongsang
|
|
2014
|
600 |
C |
p. 68-72
5 p.
|
artikel
|
| 20 |
The origin of enantioselectivity for intramolecular Friedel–Crafts reaction catalyzed by supramolecular Cu/DNA catalyst complex
|
Petrova, Galina P.
|
|
2014
|
600 |
C |
p. 87-95
9 p.
|
artikel
|
| 21 |
Time-dependent change of Hyper-Rayleigh Scattering from silver nanoparticle aggregates induced by salt
|
Kim, Joon Heon
|
|
2014
|
600 |
C |
p. 15-20
6 p.
|
artikel
|
| 22 |
Tuning the oxidation degree in sub-10nm silver-oxide nanoparticles: From Ag2O monoxide to AgO x (x > 1) superoxide
|
Tchaplyguine, M.
|
|
2014
|
600 |
C |
p. 96-102
7 p.
|
artikel
|
| 23 |
Umbrella sampling of proton transfer in a creatine–water system
|
Ivchenko, Olga
|
|
2014
|
600 |
C |
p. 51-55
5 p.
|
artikel
|
| 24 |
Vacancy formation energy and size effects
|
Yu, Xiaohua
|
|
2014
|
600 |
C |
p. 43-45
3 p.
|
artikel
|
| 25 |
Vibrational properties of water retained in graphene oxide
|
Drużbicki, Kacper
|
|
2014
|
600 |
C |
p. 106-111
6 p.
|
artikel
|
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