X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (279) 279
Patent (127) 127
Publication (18) 18
Book Review (5) 5
Conference Proceeding (3) 3
Dissertation (3) 3
Book / eBook (2) 2
Magazine Article (2) 2
Newspaper Article (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry (94) 94
organic chemistry (77) 77
metallurgy (76) 76
human necessities (68) 68
hygiene (63) 63
medical or veterinary science (63) 63
preparations for medical, dental, or toilet purposes (63) 63
index medicus (55) 55
biochemistry (51) 51
microbiology (49) 49
beer (47) 47
enzymology (47) 47
mutation or genetic engineering (47) 47
spirits (47) 47
vinegar (47) 47
wine (47) 47
peptides (44) 44
physics (44) 44
chemistry, physical (41) 41
compositions thereof (41) 41
culture media (41) 41
microorganisms or enzymes (41) 41
molecular dynamics (41) 41
propagating, preserving or maintaining microorganisms (41) 41
chemistry, multidisciplinary (40) 40
investigating or analysing materials by determining theirchemical or physical properties (35) 35
measuring (35) 35
testing (35) 35
agriculture (34) 34
animal husbandry (33) 33
care of birds, fishes, insects (33) 33
fishing (33) 33
forestry (33) 33
hunting (33) 33
new breeds of animals (33) 33
rearing or breeding animals, not otherwise provided for (33) 33
trapping (33) 33
heterocyclic compounds (30) 30
specific therapeutic activity of chemical compounds ormedicinal preparations (25) 25
physics, atomic, molecular & chemical (24) 24
simulation (24) 24
analysis (22) 22
blasting (22) 22
heating (22) 22
lighting (22) 22
materials science, multidisciplinary (22) 22
mechanical engineering (22) 22
weapons (22) 22
animals (20) 20
compositions or test papers therefor (20) 20
condition-responsive control in microbiological orenzymological processes (20) 20
measuring or testing processes involving enzymes, nucleicacids or microorganisms (20) 20
processes of preparing such compositions (20) 20
research (20) 20
computer simulation (19) 19
humans (19) 19
nucleation (19) 19
dynamics (17) 17
basic electric elements (16) 16
crystallography (16) 16
electricity (16) 16
male (16) 16
molecular dynamics simulation (16) 16
water (16) 16
biochemistry & molecular biology (15) 15
chemistry, inorganic & nuclear (15) 15
combustion engines (15) 15
hot-gas or combustion-product engine plants (15) 15
mice (15) 15
crystal structure (14) 14
crystals (14) 14
crystallization (12) 12
female (12) 12
ligands (12) 12
performing operations (12) 12
transporting (12) 12
biophysics (11) 11
chemical properties (11) 11
conveying (11) 11
growth (11) 11
handling thin or filamentary material (11) 11
nanoparticles (11) 11
packing (11) 11
proteins (11) 11
storing (11) 11
crystal-structure (10) 10
general tagging of cross-sectional technologies spanning over several sections of the ipc (10) 10
general tagging of new technological developments (10) 10
kinetics (10) 10
medicine (10) 10
molecular medicine (10) 10
physics, condensed matter (10) 10
supplying combustion engines in general, with combustiblemixtures or constituents thereof (10) 10
technical subjects covered by former uspc cross-reference art collections [xracs] and digests (10) 10
technologies or applications for mitigation or adaptation againstclimate change (10) 10
combustion engines in general (9) 9
computer appl. in life sciences (9) 9
computer applications in chemistry (9) 9
crystal growth (9) 9
internal-combustion piston engines (9) 9
more...
Library Location Library Location
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (369) 369
German (73) 73
French (52) 52
Chinese (9) 9
Spanish (5) 5
Portuguese (3) 3
Korean (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


RSC Advances, ISSN 2046-2069, 11/2017, Volume 7, Issue 85, pp. 5463 - 5467
The solvation of mono-, di- and trivalent metal ions in liquid ammonia is characterized from molecular simulations. A central focus of the analyses is given by... 
Ammonia | Liquid ammonia | Gallium | Solvation | Computer simulation | Aluminum | Metals | Ions | Calcium ions | Metal ions
Journal Article
ChemPhysChem, ISSN 1439-4235, 07/2015, Volume 16, Issue 10, pp. 2069 - 2075
Recent observations of prenucleation species and multi‐stage crystal nucleation processes challenge the long‐established view on the thermodynamics of crystal... 
nucleation | phase transitions | molecular simulation | prenucleation clusters | CRYSTALLIZATION | MOLECULAR-DYNAMICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | HARD-SPHERE COLLOIDS | MECHANISMS | MODEL | CALCIUM-CARBONATE | PREDICTION | CRYSTAL-NUCLEATION | SEPARATION | PRECURSORS | Thermodynamics | Crystallization | Concepts
Journal Article
Physical Review Letters, ISSN 0031-9007, 01/2004, Volume 92, Issue 4, pp. 408011 - 408014
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2017, Volume 682, pp. 55 - 59
A molecular mechanics simulation study of ammonium and amide ion solvation in ammonia is combined with quantum calculations to estimate the pK of the... 
pK constants | Ammonothermal syntheses | Ammonia solution | Auto-protolysis | DYNAMICS SIMULATIONS | PK(A) CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | CARBOXYLIC-ACIDS | WATER | Ammonia | Molecular dynamics | Electric properties
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2013, Volume 573, p. 5
Characteristic pv[right arrow]ppv transformation trajectory of MgSiO.sub.3 as obtained from transition path sampling iterations mimicking temperature and... 
Perovskite
Journal Article
Geophysical Research Letters, ISSN 0094-8276, 08/2011, Volume 38, Issue 16
Journal Article
CrystEngComm, ISSN 1466-8033, 9/2015, Volume 17, Issue 36, pp. 689 - 6894
The mechanism of (101&cmb.macr;0) and (0001&cmb.macr;) zinc oxide surface growth from ethanolic solution is investigated by molecular simulation. Growth steps... 
Crystal growth | Landscapes | Additives | Computer simulation | Zinc oxide | Mathematical models | Ridges | Islands
Journal Article
Geophysical Research Letters, ISSN 0094-8276, 08/2011, Volume 38, Issue 16
Atomic mechanism of MgSiO3 shearing Interplay of shearing and pressure-induced phase transition Identification of preferred slip planes It is shown that the... 
Earth | Stacking faults | Phase transformations | Simulation | Slip | Yield strength | Perovskites | Shearing
Journal Article
Geophysical Research Letters, ISSN 0094-8276, 08/2011, Volume 38, Issue 16, p. n/a
Journal Article
Physical Review Letters, ISSN 0031-9007, 2004, Volume 92, Issue 4, pp. 4 - 040801
Despite great technological relevance, the initial steps of nucleation and crystal growth from solution are still poorly understood. While experimentally... 
CRYSTAL-NUCLEATION | PHYSICS, MULTIDISCIPLINARY | NACL | COMPUTER-SIMULATION | MODEL | MOLECULAR-DYNAMICS SIMULATION | WATER
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2013, Volume 573, pp. 5 - 7
Characteristic pv → ppv transformation trajectory of MgSiO as obtained from transition path sampling iterations mimicking temperature and pressure conditions... 
ELASTICITY | EARTHS D''-LAYER | CONSTANTS | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MANTLE
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 09/2017, Volume 147, Issue 11, pp. 114506 - 114506
We present an ab initio-based force-field for silver ion interactions with water and ammonia. Compared to quantum calculations, our model allows for rather... 
CHEMISTRY, PHYSICAL | ELEMENTS | INITIO | BASIS-SET | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FIELD SIMULATION | Dynamic structural analysis | Organic chemistry | Ammonia | Silver | Solvation | Computer simulation | Molecular dynamics | Variations | Coordination compounds
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 03/2015, Volume 2015, Issue 7, pp. 1178 - 1181
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 03/2015, Volume 2015, Issue 7, pp. 1178 - 1181
Molecular dynamics simulations have been employed to characterize the role of [Bi sub(6)O sub(4)(OH) sub( 4)](NO sub(3)) sub(6) cage structures in DMSO... 
Ripening | Oligomers | Simulation | Precursors | Clusters | Ligands | Bismuth oxides | Nitrates
Journal Article
PLOS ONE, ISSN 1932-6203, 03/2019, Volume 14, Issue 3, pp. e0212731 - e0212731
The agglomeration of silica nanoparticles in aqueous solution is investigated from molecular simulations. Mimicking destabilization of colloidal solutions by... 
NANOPARTICLES | AMORPHOUS SILICA | MULTIDISCIPLINARY SCIENCES | CHEMISTRY | DYNAMICS | MODEL | SIMULATION | AGGREGATION | WATER | Molecular mechanics | Nanoparticles | Research | Chemical properties | Silica
Journal Article
Journal of Solid State Chemistry, ISSN 0022-4596, 09/2019, Volume 277, p. 221
Highlights This molecular dynamics simulations study elucidates how water diffusion in MgCl.sub.2*nH.sub.2O (n=4 and 6) is facilitated by defects and dopants.... 
Anisotropy | Heat storage | Molecular dynamics | Computer storage devices | Hydrates
Journal Article
Zeitschrift für anorganische und allgemeine Chemie, ISSN 0044-2313, 08/2016, Volume 642, Issue 16, pp. 902 - 905
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 03/2015, Volume 2015, Issue 7, pp. 1178 - 1181
Molecular dynamics simulations have been employed to characterize the role of [Bi 6 O 4 (OH) 4 ](NO 3 ) 6 cage structures in DMSO solution as precursors to... 
Crystal growth | Aggregation | Molecular dynamics | Cage compounds | Bismuth oxides | Nitrates
Journal Article
材料科学前沿:英文版, ISSN 2095-025X, 2017, Volume 11, Issue 1, pp. 1 - 12
Journal Article
No results were found for your search.

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