| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A coarse-grained model based on core-oftened potentials for anomalous polymers
|
Batista, Ronaldo J C
|
|
2017
|
129 |
7 |
p. 999-1003
|
artikel
|
| 2 |
A comparative study of the performance of some density functionals for vibronic spectra
|
Reddy, Ch Sridhar
|
|
2017
|
129 |
7 |
p. 953-961
|
artikel
|
| 3 |
A computational investigation of the red and blue shifts in hydrogen bonded systems
|
Das, Mitradip
|
|
2017
|
129 |
7 |
p. 975-981
|
artikel
|
| 4 |
A free energy study of the liquid-liquid phase transition of the Jagla two-scale potential
|
Ricci, Francesco
|
|
2017
|
129 |
7 |
p. 801-823
|
artikel
|
| 5 |
A model with charges and polarizability for CS2 in an ionic liquid
|
LYNDEN-BELL, RUTH M
|
|
2017
|
129 |
7 |
p. 883-890
|
artikel
|
| 6 |
A molecular dynamics calculation of solid phase of malonic acid: role of hydrogen-bond chains and the elastic constants
|
Perumal, Sathya S R R
|
|
2017
|
129 |
7 |
p. 963-974
|
artikel
|
| 7 |
Breakdown of universal Lindemann criterion in the melting of Lennard-Jones polydisperse solids
|
SARKAR, SARMISTHA
|
|
2017
|
129 |
7 |
p. 833-840
|
artikel
|
| 8 |
Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of $$\alpha $$α and $$\beta $$β toxin nanopores in lipid membranes
|
Desikan, Rajat
|
|
2017
|
129 |
7 |
p. 1017-1030
|
artikel
|
| 9 |
Connecting diffusion and entropy of bulk water at the single particle level
|
SAHA, DEBASIS
|
|
2017
|
129 |
7 |
p. 825-832
|
artikel
|
| 10 |
Controlling the quantum rotational dynamics of a driven planar rotor by rebuilding barriers in the classical phase space
|
Shukla, Archana
|
|
2017
|
129 |
7 |
p. 1005-1016
|
artikel
|
| 11 |
Density dependence of relaxation dynamics in glass formers, and the dependence of their fragility on the softness of inter-particle interactions
|
Parmar, Anshul D S
|
|
2017
|
129 |
7 |
p. 1081-1091
|
artikel
|
| 12 |
Density-scaling exponents and virial potential-energy correlation coefficients for the (2n, n) Lennard-Jones system
|
Friisberg, Ida M
|
|
2017
|
129 |
7 |
p. 919-928
|
artikel
|
| 13 |
Diffusing diffusivity: a new derivation and comparison with simulations
|
Jain, Rohit
|
|
2017
|
129 |
7 |
p. 929-937
|
artikel
|
| 14 |
Excess vibrational modes of a crystal in an external non-affine field
|
Ganguly, Saswati
|
|
2017
|
129 |
7 |
p. 891-897
|
artikel
|
| 15 |
Facile charge transport in $$\hbox {FeN}_{\mathrm{x}}/\hbox {Mo}_{2}\hbox {N/CNT}$$FeNx/Mo2N/CNT nanocomposites for efficient hydrogen evolution reactions
|
Ojha, Kasinath
|
|
2017
|
129 |
7 |
p. 989-997
|
artikel
|
| 16 |
In silico studies of the early stages of aggregation of A$$\beta _{42}$$β42 peptides
|
Khatua, Prabir
|
|
2017
|
129 |
7 |
p. 899-909
|
artikel
|
| 17 |
Microstructures and their lifetimes in acetamide/electrolyte deep eutectics: anion dependence
|
Das, Suman
|
|
2017
|
129 |
7 |
p. 939-951
|
artikel
|
| 18 |
Modeling of 1-D Nanowires and analyzing their Hydrogen and Noble Gas Binding Ability
|
PAN, SUDIP
|
|
2017
|
129 |
7 |
p. 849-858
|
artikel
|
| 19 |
Molecular Dynamics Investigation of Efficient SO2 Absorption by Anion-Functionalized Ionic Liquids
|
MONDAL, ANIRBAN
|
|
2017
|
129 |
7 |
p. 859-872
|
artikel
|
| 20 |
Nanoclusters of Cyanuric Acid
|
ELANGO, M
|
|
2017
|
129 |
7 |
p. 873-881
|
artikel
|
| 21 |
On the origin of spurious errors in many-body expansion for water cluster
|
Saha, Soumen
|
|
2017
|
129 |
7 |
p. 1053-1060
|
artikel
|
| 22 |
Preface
|
Bagchi, Biman
|
|
2017
|
129 |
7 |
p. 791-792
|
artikel
|
| 23 |
Role of solvation structure in the shuttling of the hydrated excess proton
|
Biswas, Rajib
|
|
2017
|
129 |
7 |
p. 1045-1051
|
artikel
|
| 24 |
Size and Structure of Cytochrome-c bound to Gold nano-clusters: Effect of Ethanol
|
GHOSH, CATHERINE
|
|
2017
|
129 |
7 |
p. 841-847
|
artikel
|
| 25 |
Stabilisation of the [6]-prismane structure by silicon substitution
|
Equbal, Asif
|
|
2017
|
129 |
7 |
p. 911-917
|
artikel
|
| 26 |
The dynamic behavior of the exohedral transition metal complexes of $$\mathrm{B}_{40}: {\upeta}^{6}$$B40:η6- and $${\upeta}^{7}$$η7-$$\mathrm{B}_{40}\hbox {Cr(CO)}_{3}$$B40Cr(CO)3 and $$\hbox {Cr(CO)}_{3}$$Cr(CO)3-$${\upeta}^{7}$$η7-$$\hbox {B}_{40}$$B40 -$${\upeta}^{7}$$η7-$$\hbox {Cr(CO)}_{3}$$Cr(CO)3
|
Karmodak, Naiwrit
|
|
2017
|
129 |
7 |
p. 1061-1067
|
artikel
|
| 27 |
Trajectories of Brownian particles with space-correlated noise
|
MILOTTI, EDOARDO
|
|
2017
|
129 |
7 |
p. 983-988
|
artikel
|
| 28 |
Unfolding intermediates of the mutant His-107-Tyr of human carbonic anhydrase II
|
Taraphder, Srabani
|
|
2017
|
129 |
7 |
p. 1031-1044
|
artikel
|
| 29 |
Validity of the Rosenfeld relationship: A comparative study of the network forming NTW model and other simple liquids
|
BANERJEE, ATREYEE
|
|
2017
|
129 |
7 |
p. 793-800
|
artikel
|
| 30 |
Vibrational echo spectral observables and frequency fluctuations of hydration shell water around a fluoride ion from first principles simulations
|
Ojha, Deepak
|
|
2017
|
129 |
7 |
p. 1069-1080
|
artikel
|
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