| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate potential energy curves of Li2 and LiH: A Quantum Monte-Carlo (QMC) study
|
Nasiri, Saeed
|
|
|
634 |
C |
p. 101-107
|
artikel
|
| 2 |
An approach for the rationalization of melting temperature for deep eutectic solvents from DFT
|
García, Gregorio
|
|
|
634 |
C |
p. 151-155
|
artikel
|
| 3 |
AsCl radical: The low-lying electronic states and the (1)3Π→ X 3Σ− electronic transition
|
Pontes, Marcelo A.P.
|
|
|
634 |
C |
p. 66-70
|
artikel
|
| 4 |
A State-Specific PCM–DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases
|
Muñoz-Losa, Aurora
|
|
|
634 |
C |
p. 20-24
|
artikel
|
| 5 |
A study of the hydration of lysozyme in neat organic solvents using isothermal calorimetry: Effect of water solvation
|
Sirotkin, Vladimir A.
|
|
|
634 |
C |
p. 160-165
|
artikel
|
| 6 |
Bifurcated chalcogen bonds: A theoretical study on the structure, strength and bonding properties
|
Esrafili, Mehdi D.
|
|
|
634 |
C |
p. 210-215
|
artikel
|
| 7 |
Carbon dioxide photoconversion driven by visible-light excitation of small carbon nanoparticles in various configurations
|
Sahu, Sushant
|
|
|
634 |
C |
p. 122-128
|
artikel
|
| 8 |
Carborane super-nano-tubes
|
Bhattacharya, Debojit
|
|
|
634 |
C |
p. 71-76
|
artikel
|
| 9 |
CdS/ZnO core/shell nano-heterostructure coupled with reduced graphene oxide towards enhanced photocatalytic activity and photostability
|
Singh, Simrjit
|
|
|
634 |
C |
p. 140-145
|
artikel
|
| 10 |
Chemical sensitivity of K-L vacancy transfer probability in compounds of 3d atoms using synchrotron radiation
|
Mirji, Santosh
|
|
|
634 |
C |
p. 271-276
|
artikel
|
| 11 |
Chiral glycine formation on cold interstellar grains by quantum tunneling hydrogen–deuterium substitution reactions
|
Oba, Yasuhiro
|
|
|
634 |
C |
p. 53-59
|
artikel
|
| 12 |
Classical-quantum correspondence in a model for conformational dynamics: Connecting phase space reactive islands with rare events sampling
|
Patra, Sarbani
|
|
|
634 |
C |
p. 1-10
|
artikel
|
| 13 |
Combining intrinsic disorder prediction and augmented training of hidden Markov models improves discriminative motif discovery
|
Song, Tao
|
|
|
634 |
C |
p. 243-248
|
artikel
|
| 14 |
Comment on dimension dependence of helium
|
Virgo, W.L.
|
|
|
634 |
C |
p. 179-180
|
artikel
|
| 15 |
Computational studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 nanocage clusters
|
de Oliveira, Osmair Vital
|
|
|
634 |
C |
p. 25-28
|
artikel
|
| 16 |
Computational study on the ion interaction of ellipticine: A theoretical approach toward selecting the appropriate anion
|
Paul, Suvendu
|
|
|
634 |
C |
p. 29-36
|
artikel
|
| 17 |
Contents
|
|
|
|
634 |
C |
p. iii-xv
|
artikel
|
| 18 |
Diffusion mechanisms at the Pb solid–liquid interface: Atomic level point of view
|
Sun, Xuegui
|
|
|
634 |
C |
p. 108-112
|
artikel
|
| 19 |
Editorial Board
|
|
|
|
634 |
C |
p. IFC
|
artikel
|
| 20 |
Electron attachment to chlorinated alcohols
|
Wnorowski, K.
|
|
|
634 |
C |
p. 203-209
|
artikel
|
| 21 |
Fluorescence and phosphorescence of lutetium(III) and gadolinium(III) porphyrins for the intraratiometric oxygen sensing
|
Kalota, Bartosz
|
|
|
634 |
C |
p. 188-193
|
artikel
|
| 22 |
Formation of 3-mercaptopropionic acid-Zn x Cd1−x Se quantum dots with tunable band gap
|
Geng, Yue
|
|
|
634 |
C |
p. 156-159
|
artikel
|
| 23 |
FTIR investigation of the equilibrium structure of osmium pentacarbonyl in alcohol solvents
|
Devanny, Alexander J.
|
|
|
634 |
C |
p. 198-202
|
artikel
|
| 24 |
Gaussian-based cutoff scheme on Hartree–Fock exchange term of dielectric-dependent potential
|
Shimazaki, Tomomi
|
|
|
634 |
C |
p. 83-87
|
artikel
|
| 25 |
High resolution far infrared spectroscopy of HFC-134a using a collisional cooling cell adapted to a synchrotron source
|
Wong, Andy
|
|
|
634 |
C |
p. 225-229
|
artikel
|
| 26 |
Impact of disorder effect on the percolative conductivity in Nd0.5Ca0.5−x Sr x MnO3 (0.10≤ x ≤0.25)
|
Xu, Lisha
|
|
|
634 |
C |
p. 174-178
|
artikel
|
| 27 |
Improvement of light-harvesting and electron injection efficiencies by lithium ion in D149-sensitized nanocrystalline TiO2 films
|
Namekawa, Akihiro
|
|
|
634 |
C |
p. 37-41
|
artikel
|
| 28 |
Isotope effects of ammonia umbrella flip using semiclassical instanton calculations based on discretized path integrals
|
Kawatsu, Tsutomu
|
|
|
634 |
C |
p. 146-150
|
artikel
|
| 29 |
Length, width and roughness dependent thermal conductivity of graphene nanoribbons
|
Sonvane, Yogesh
|
|
|
634 |
C |
p. 16-19
|
artikel
|
| 30 |
Molecular dynamic simulation for the evaluation of free energy distribution along the reaction coordinates at the initial stage of carbon nanotube nucleation
|
Nishi, Kazuki
|
|
|
634 |
C |
p. 194-197
|
artikel
|
| 31 |
Nanomechanics of PCNA: A protein-made DNA sliding clamp
|
Rydzewski, Jakub
|
|
|
634 |
C |
p. 236-242
|
artikel
|
| 32 |
Numerical differentiation method to calculate molecular properties at ground and excited states – Application to Julolidinemalononitrile
|
Louant, Orian
|
|
|
634 |
C |
p. 249-254
|
artikel
|
| 33 |
Performance of the divide-and-conquer approach used as an initial guess
|
Shoji, Mitsuo
|
|
|
634 |
C |
p. 181-187
|
artikel
|
| 34 |
Photoexcited riboflavin induces oxidative damage to human serum albumin
|
Hirakawa, Kazutaka
|
|
|
634 |
C |
p. 221-224
|
artikel
|
| 35 |
Radical spin interaction in one-dimensional chains of decamethyl C60
|
Narita, Kohei
|
|
|
634 |
C |
p. 129-133
|
artikel
|
| 36 |
Screening and assignment of phenylboronic acid and its anhydride formation by NMR spectroscopy
|
Chaudhari, Sachin R.
|
|
|
634 |
C |
p. 95-97
|
artikel
|
| 37 |
Single- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab initio calculations
|
Orellana, Walter
|
|
|
634 |
C |
p. 47-52
|
artikel
|
| 38 |
Spatially-encoded intermolecular single-quantum coherence method for high-resolution NMR spectra in inhomogeneous fields
|
Lin, Yulan
|
|
|
634 |
C |
p. 11-15
|
artikel
|
| 39 |
Spectroscopic constants relating to ionization from the strongest bonding and inner valence molecular orbital 2σg of N2: An EIP-VUMRCC search
|
Sharma, Amitava
|
|
|
634 |
C |
p. 88-94
|
artikel
|
| 40 |
Spectroscopic evidence of α,α-dichlorobenzyl radical produced by corona discharge of benzotrichloride
|
Yoon, Young Wook
|
|
|
634 |
C |
p. 118-121
|
artikel
|
| 41 |
Spectroscopic evidence of jet-cooled p-methyl-α-methylbenzyl radical
|
Chae, Sang Youl
|
|
|
634 |
C |
p. 42-46
|
artikel
|
| 42 |
Structural evolution of nucleobase clusters using force field models and density functional theory
|
Chiriki, Siva
|
|
|
634 |
C |
p. 166-173
|
artikel
|
| 43 |
Structural rearrangement in gas phase niobium carbide clusters, Nb n C3 and Nb n C6
|
Miyajima, Ken
|
|
|
634 |
C |
p. 261-265
|
artikel
|
| 44 |
Structural transition of tellurium encapsulated in confined one-dimensional nanospaces depending on the diameter
|
Kobayashi, Keita
|
|
|
634 |
C |
p. 60-65
|
artikel
|
| 45 |
Structures and electronic properties of neutral and anionic Ca n (n =2–22) clusters
|
Liang, Xiaoqing
|
|
|
634 |
C |
p. 255-260
|
artikel
|
| 46 |
The effect of unequal strand length on short DNA duplex hybridization in a model microarray system: A Monte Carlo simulation study
|
Cooper, Connor J.
|
|
|
634 |
C |
p. 230-235
|
artikel
|
| 47 |
Theoretical analysis of the transition-state spectrum of the cyclooctatetraene unimolecular reaction: Three degree-of-freedom model calculations
|
Yoshida, Takahiko
|
|
|
634 |
C |
p. 134-139
|
artikel
|
| 48 |
The source of the differences in the IR spectral properties of the hydrogen bond in two isomeric thioamide crystals: Thioacetanilide and N-methylthiobenzamide
|
Flakus, Henryk T.
|
|
|
634 |
C |
p. 113-117
|
artikel
|
| 49 |
Two photon absorption studies of PVA coated CdSe/ZnSe and CdSe/CdS core/shell nanostructures
|
Sharma, Mamta
|
|
|
634 |
C |
p. 266-270
|
artikel
|
| 50 |
Ultraviolet photoelectron spectra of Sc3C2@C80
|
Yagi, Hajime
|
|
|
634 |
C |
p. 98-100
|
artikel
|
| 51 |
UV laser spectroscopy of mass-selected ionic liquid building blocks in the gas-phase
|
Harvey, Andrew J.A.
|
|
|
634 |
C |
p. 216-220
|
artikel
|
| 52 |
Weak interactive forces govern the interaction between a non-ionic surfactant with human serum albumin
|
Ghosh, Narayani
|
|
|
634 |
C |
p. 77-82
|
artikel
|
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