X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry, physical (29) 29
physics, atomic, molecular & chemical (26) 26
molecular dynamics (23) 23
computer simulation (8) 8
solvation (8) 8
hydrogen bonding (7) 7
hydrogen (6) 6
mixtures (6) 6
molecular-dynamics simulation (6) 6
simulation (6) 6
water (6) 6
adsorption (5) 5
amides (5) 5
analysis (5) 5
diffusion (5) 5
molecular-dynamics (5) 5
neutron-diffraction (5) 5
research (5) 5
temperature-dependence (5) 5
carbon-dioxide (4) 4
chemical properties (4) 4
co2 (4) 4
computer-simulation (4) 4
dimethyl-sulfoxide (4) 4
electrostatic interactions (4) 4
fluids (4) 4
hydrogen bonds (4) 4
intermolecular interactions (4) 4
materials science, multidisciplinary (4) 4
methanol (4) 4
molekulardynamische simulation (4) 4
nanoscience & nanotechnology (4) 4
relaxation (4) 4
wasserstoff (4) 4
[ chim.theo ] chemical sciences/theoretical and/or physical chemistry (3) 3
binary-mixtures (3) 3
carbon-disulfide (3) 3
chemical sciences (3) 3
chemistry, multidisciplinary (3) 3
density (3) 3
dynamics (3) 3
light-scattering (3) 3
mathematical models (3) 3
methane (3) 3
mobility (3) 3
molecular dynamics simulation (3) 3
or physical chemistry (3) 3
rotational relaxation (3) 3
scattering (3) 3
supercritical (3) 3
theoretical and (3) 3
usage (3) 3
ab-initio (2) 2
absorption (2) 2
amorphous polymers (2) 2
ar (2) 2
augmentation (2) 2
b: statistical mechanics, thermodynamics, medium effects (2) 2
chemical bonds (2) 2
clusters (2) 2
complexation (2) 2
computer-generated environments (2) 2
cs2 (2) 2
density inhomogeneities (2) 2
diffraction (2) 2
dimethyl sulfoxide (2) 2
equilibrium (2) 2
feinstruktur (2) 2
formamide (2) 2
glassy-polymers (2) 2
high-pressures (2) 2
hydrocarbons (2) 2
hydrogen-bond geometry (2) 2
hydrogen-bonded water molecules (2) 2
hydrophobic groups (2) 2
integumentary system (2) 2
ion shell (2) 2
liquid (2) 2
liquid water (2) 2
liquids (2) 2
model (2) 2
molecular dynamics simulations (2) 2
molecular simulation (2) 2
molecular-dynamics-simulation (2) 2
molecules (2) 2
molekulardynamik (2) 2
monte-carlo-simulation (2) 2
n,n-dimethylformamide (2) 2
neutron (2) 2
nitrogen (2) 2
organic chemicals (2) 2
organic solvents (2) 2
orientational order parameters (2) 2
penetrant diffusion (2) 2
phase-behavior (2) 2
polyhedral oligomeric sislesquioxanes (2) 2
raumtemperatur (2) 2
room-ambient-temperature (2) 2
sic nanotubes (2) 2
simulations (2) 2
more...
Library Location Library Location
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of Molecular Liquids, ISSN 0167-7322, 11/2017, Volume 245, pp. 1 - 1
Journal Article
Nano Letters, ISSN 1530-6984, 08/2006, Volume 6, Issue 8, pp. 1581 - 1583
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 10/2016, Volume 145, Issue 15, p. 154505
Journal Article
The Journal of chemical physics, ISSN 0021-9606, 10/2016, Volume 145, Issue 15, p. 154505
Molecular dynamics simulation studies were performed to investigate the structural and dynamic properties of liquid carbon disulfide (CS ) from ambient to... 
Condensed Matter | Materials Science | Physics
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 05/2015, Volume 205, pp. 115 - 118
A method is presented for the study of the mean motion and the dynamics of ions under the action of an electrostatic field in supercritical fluids through a... 
Mobility | Molecular dynamics | Supercritical Ar | O2 | Ion shell
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 05/2015, Volume 205, p. 115
A method is presented for the study of the mean motion and the dynamics of ions under the action of an electrostatic field in supercritical fluids through a... 
Journal Article
The Journal of Supercritical Fluids, ISSN 0896-8446, 12/2017, Volume 130, pp. 156 - 164
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 09/2019, Volume 289, p. 111135
Molecular Dynamics simulations have been employed to investigate the local structural and dynamic properties of low-concentrated water and HOD dissolved in an... 
Water | Ionic liquids | Molecular dynamics | Rotational dynamics | Preferential solvation | Isotopic effects | MOLECULAR-DYNAMICS | DIFFUSION JUMPS | TRANSPORT-PROPERTIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | EQUATIONS | CHEMISTRY, PHYSICAL | STOKES-EINSTEIN | SOLVENTS | EQUILIBRIUM | SIMULATIONS | BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 01/2017, Volume 226, p. 16
In this work, the liquid amide mixture of N-methylformamide (NMF) with N,N-dimethylformamide (DMF) has been investigated by means of the molecular dynamics... 
Molecular dynamics | Cytokinins | Raman spectroscopy | Hydrogen | Hydrogen bonding | Analysis | Thermodynamics | Dimethylformamide | Amides
Journal Article
Molecular Physics: Thermodynamics 2011 Conference, ISSN 0026-8976, 06/2012, Volume 110, Issue 11-12, pp. 1171 - 1178
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 01/2017, Volume 226, pp. 1 - 1
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 05/2015, Volume 205, pp. 46 - 53
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 07/2010, Volume 133, Issue 1, pp. 014504 - 014504-13
The hydrogen bonding and dynamics in a supercritical mixture of carbon dioxide with ethanol as a cosolvent ( X ethanol ∼ 0.1 ) were investigated using... 
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 01/2017, Volume 226, pp. 16 - 27
In this work, the liquid amide mixture of N-methylformamide (NMF) with N,N-dimethylformamide (DMF) has been investigated by means of the molecular dynamics... 
Molecular dynamics simulation | Amide mixtures | Hydrogen bonding | Intermolecular-local structure | Diffusivity | LIQUID N-METHYLFORMAMIDE | PLUS WATER | HYDROGEN-BOND | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | METHYL-FORMAMIDE | TERNARY-SYSTEM | DIMETHYL-SULFOXIDE | METAL-IONS | C-H | AMIDES
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 10/2008, Volume 112, Issue 43, pp. 16725 - 16728
Grand canonical Monte Carlo (GCMC) simulations combined with ab initio QM calculations were employed to study the adsorption capacity of H2 in single-walled... 
CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ARMCHAIR | ADSORPTION | MATERIALS SCIENCE, MULTIDISCIPLINARY | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 11/2006, Volume 110, Issue 43, pp. 21931 - 21937
Molecular dynamics atomistic simulations in the canonical ensemble (NVT-MD) have been used to investigate the “Local Density Inhomogeneities and their... 
FLUIDS | METHANOL | AUGMENTATION | TEMPERATURE-DEPENDENCE | CLUSTERS | SOLVENTS | ENHANCEMENT | VAPOR-LIQUID-EQUILIBRIUM | CHEMISTRY, PHYSICAL | SOLVATION | SCATTERING | Molecular dynamics | Water chemistry | Analysis
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.