| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach
|
Makhov, Dmitry V.
|
|
2017
|
493 |
C |
p. 200-218
19 p.
|
artikel
|
| 2 |
A coarse-grained method to predict the open-to-closed behavior of glutamine binding protein
|
Lv, Dashuai
|
|
2017
|
493 |
C |
p. 166-174
9 p.
|
artikel
|
| 3 |
A comprehensive comparison between thermodynamic perturbation theory and first-order mean spherical approximation: Based on discrete potentials with hard core
|
Zhou, Shiqi
|
|
2017
|
493 |
C |
p. 1-11
11 p.
|
artikel
|
| 4 |
An exactly solvable model of polymerization
|
Lushnikov, A.A.
|
|
2017
|
493 |
C |
p. 133-139
7 p.
|
artikel
|
| 5 |
Another look at structure of gold clusters Aun from perspective of phenomenological shell model
|
Nhat, Pham Vu
|
|
2017
|
493 |
C |
p. 140-148
9 p.
|
artikel
|
| 6 |
Benzodichalcogenophene-diketopyrrolopyrrole small molecules as donors for efficient solution processable solar cells
|
Fan, Ling
|
|
2017
|
493 |
C |
p. 77-84
8 p.
|
artikel
|
| 7 |
Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2X n π–π complexes?
|
Vamhindi, Berthelot Saïd Duvalier Ramlina
|
|
2017
|
493 |
C |
p. 12-19
8 p.
|
artikel
|
| 8 |
Characteristics of methylammonium ion (CH3NH3 +) in aqueous electrolyte solution: An ONIOM-XS MD simulation study
|
Chaiyasit, Prangthong
|
|
2017
|
493 |
C |
p. 91-101
11 p.
|
artikel
|
| 9 |
Coalesced nanomorphology, in situ, and ex situ applications of self assembled Gallium droplets grown by metal organic chemical vapor deposition
|
Lohani, J.
|
|
2017
|
493 |
C |
p. 175-182
8 p.
|
artikel
|
| 10 |
Contents
|
|
|
2017
|
493 |
C |
p. iii-ix
nvt p.
|
artikel
|
| 11 |
Electronic structure of Fe, α-Fe2O3 and Fe(NO3)3 ×9 H2O determined using RXES
|
Nowakowski, Michał
|
|
2017
|
493 |
C |
p. 49-55
7 p.
|
artikel
|
| 12 |
IFC (Editorial Board)
|
|
|
2017
|
493 |
C |
p. IFC-
1 p.
|
artikel
|
| 13 |
Magnetic-field dependence of the impurity states in a dome-shaped quantum dot
|
Niculescu, E.C.
|
|
2017
|
493 |
C |
p. 32-41
10 p.
|
artikel
|
| 14 |
Natural optical activity of f-f transitions in ErAl3(BO3)4 single crystal
|
Malakhovskii, A.V.
|
|
2017
|
493 |
C |
p. 102-110
9 p.
|
artikel
|
| 15 |
Plasmon enhanced heterogeneous electron transfer with continuous band energy model
|
Zhao, Dandan
|
|
2017
|
493 |
C |
p. 194-199
6 p.
|
artikel
|
| 16 |
Quantum chemical study of small Al n B m clusters: Structure and physical properties
|
Loukhovitski, Boris I.
|
|
2017
|
493 |
C |
p. 61-76
16 p.
|
artikel
|
| 17 |
Quantum optimal control of the isotope-selective rovibrational excitation of diatomic molecules
|
Kurosaki, Yuzuru
|
|
2017
|
493 |
C |
p. 183-193
11 p.
|
artikel
|
| 18 |
Real-time observation of interfragment vibration and charge transfer within the TCNQF4 dimer
|
Hashimoto, Sena
|
|
2017
|
493 |
C |
p. 56-60
5 p.
|
artikel
|
| 19 |
Reversible hydrogen adsorption on Co/N4 cluster embedded in graphene: The role of charge manipulation
|
Omidvar, Akbar
|
|
2017
|
493 |
C |
p. 85-90
6 p.
|
artikel
|
| 20 |
Some possible channels for the N2 formation and their probable effects on the interstellar elemental nitrogen partitioning: A computational study
|
Bhasi, Priya
|
|
2017
|
493 |
C |
p. 20-31
12 p.
|
artikel
|
| 21 |
π -Stacking interactions in YFP, quantum mechanics and force field evaluations in the S0 and S1 states
|
Merabti, Karim Elhadj
|
|
2017
|
493 |
C |
p. 157-165
9 p.
|
artikel
|
| 22 |
Temperature dependence of the spin relaxation time of Fe3O4 and hemozoin superparamagnetic nanocrystals
|
Khmelinskii, I.
|
|
2017
|
493 |
C |
p. 120-132
13 p.
|
artikel
|
| 23 |
Time-resolved photoelectron signals from bifurcating electron wavepackets propagated across conical intersection in path-branching dynamics
|
Arasaki, Yasuki
|
|
2017
|
493 |
C |
p. 42-48
7 p.
|
artikel
|
| 24 |
Transport coefficients and validity of the Stokes-Einstein relation in metallic melts: From excess entropy scaling laws
|
Shrivastava, Ruchi
|
|
2017
|
493 |
C |
p. 115-119
5 p.
|
artikel
|
| 25 |
Van der Waals potential and vibrational energy levels of the ground state radon dimer
|
Sheng, Xiaowei
|
|
2017
|
493 |
C |
p. 111-114
4 p.
|
artikel
|
| 26 |
Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer
|
Yao, Hiroshi
|
|
2017
|
493 |
C |
p. 149-156
8 p.
|
artikel
|
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