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Showing results 1-50 of 185 << Previous 1 2 3 4    Next >>

2020
1 Madshaven, Inge; Hestad, Øystein Leif Gurandsrud; Unge, Mikael; Hjortstam, Olof; Åstrand, Per-Olof.
Photoionization model for streamer propagation mode change in simulation model for streamers in dielectric liquids. Plasma Research Express 2020 ;Volume 2. p. -
ENERGISINT NTNU Untitled
 
2 Madshaven, Inge.
Simulating electron-avalanche-driven positive streamers in dielectric liquids. Trondheim: Norwegian University of Science and Technology 2020 (ISBN 978-82-326-4927-3) 148 p.
NTNU ENERGISINT Untitled
 
3 Åstrand, Per-Olof; Bresme, Fernando.
Teaching basic classical thermodynamics through statistical thermodynamics – thermodynamics kept simple. Kjemi 2020 ;Volume 2. p. 22-25
NTNU Untitled
 
2019
4 Fjeldstad, Christopher.
Datadrevet Prediksjon av Båndgap for Multielement Krystallinske Materialer . Trondheim: NTNU 2019 63 p.
NTNU Untitled
 
5 Madshaven, Inge; Hestad, Øystein Leif Gurandsrud; Unge, Mikael; Hjortstam, Olof; Åstrand, Per-Olof.
Conductivity and capacitance of streamers in avalanche model for streamer propagation in dielectric liquids. Plasma Research Express 2019 ;Volume 1.(3) p. -
ENERGISINT NTNU Untitled
 
2018
6 Bresme, Fernando; Åstrand, Per-Olof.
Some like it hot ... or cold! Manipulating fluids with thermal fields. Kjemi 2018 (6) p. 15-18
NTNU Untitled
 
7 Haghdani, Shokouh.
Optical rotation from coupled cluster and density functional theories. Trondheim: NTNU 2018 (ISBN 978-82-326-2860-5) ;Volume 2018.128 p. Doktoravhandlinger ved NTNU(31)
NTNU Untitled
 
8 Madshaven, Inge; Åstrand, Per-Olof; Hestad, Øystein Leif Gurandsrud; Ingebrigtsen, Stian; Unge, Mikael; Hjortstam, Olof.
Simulation model for the propagation of second mode streamers in dielectric liquids using the Townsend-Meek criterion. Journal of Physics Communications 2018 ;Volume 2.
ENERGISINT NTNU Untitled
 
9 Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De.
Single-atom and Dimer Pt Catalysts Supported by Graphene Nanomaterials: Quantum Chemical Calculations. Cluster-Surface Interactions Workshop (CSI2018); 2018-06-18 - 2018-06-21
NTNU Untitled
 
2017
10 Chen, De; Mahmoodinia, Mehdi; Åstrand, Per-Olof.
Frontiers in carbon nanomaterials for energy conversion: from 0 to 3 dimensions. Carbon research frontiers, 2017; 2017-06-22
NTNU Untitled
 
11 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof.
Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles. Journal of Physical Chemistry A 2017 ;Volume 121.(5) p. 4765-4777
NTNU Untitled
 
12 Madshaven, Inge; Åstrand, Per-Olof; Hestad, Øystein Leif Gurandsrud; Unge, Mikael; Hjortstam, O..
Modeling the transition to fast mode streamers in dielectric liquids. I: 2017 IEEE 19th International Conference on Dielectric Liquids - ICDL. IEEE conference proceedings 2017 ISBN 978-1-5090-4877-9. p. -
ENERGISINT NTNU Untitled
 
13 Mahmoodinia, Mehdi; Trinh, Thuat; Åstrand, Per-Olof; Tran, Quang Khanh.
Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol. Physical Chemistry, Chemical Physics - PCCP 2017 ;Volume 19.(42) p. 28596-28603
NTNU Untitled
 
14 Mahmoodinia, Mehdi.
Electronic Structure, Stability, and Chemical Reactivity of Transition-Metal Catalysts Supported by Graphene Nanomaterials. Trondheim: NTNU 2017 (ISBN 978-82-326-2774-5) ;Volume 2017.177 p. Doktoravhandlinger ved NTNU(353)
NTNU Untitled
 
15 Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De.
Tuning the Electronic Properties of Single-Atom Pt Catalysts by Functionalization of the Carbon Support Material. Journal of Physical Chemistry C 2017 ;Volume 121.(38) p. 20802-20812
NTNU Untitled
 
16 Åstrand, Per-Olof.
Metal clusters on carbon surfaces as catalysts: Insights from atomistic calculations. University of Copenhagen; 2017-04-20 - 2017-04-20
NTNU Untitled
 
17 Åstrand, Per-Olof.
Open access to scientific papers and academic textbooks. Kjemi 2017 ;Volume 3. p. 10-11
NTNU Untitled
 
2016
18 Daub, Christopher David; Åstrand, Per-Olof; Bresme, Fernando.
Polarisation of polar dumbbell fluids in thermal gradients: the importance of the treatment of electrostatic interactions. Molecular Physics 2016 ;Volume 114. p. 3249-3254
NTNU Untitled
 
19 Haghdani, Shokouh; Gautun, Odd Reidar; Koch, Henrik; Åstrand, Per-Olof.
Optical Rotation Calculations for a Set of Pyrrole Compounds. Journal of Physical Chemistry A 2016 ;Volume 120. p. 7351-7360
NTNU Untitled
 
20 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof.
Implicit and Explicit Solvent Effects on Optical Rotation for Molecules with Internal Hydrogen Bonds. 6th EuCheMs Chemistry Congress; 2016-09-11 - 2016-09-15
NTNU Untitled
 
21 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof.
Optical Rotation Calculations for a Group of Fluorinated Alcohols and Amines. 17th Tetrahedron Symposium; 2016-06-28 - 2017-07-01
NTNU Untitled
 
22 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof.
Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters. Journal of Physical Chemistry A 2016 ;Volume 120.(40) p. 7973-7986
NTNU Untitled
 
23 Haghdani, Shokouh; Åstrand, Per-Olof; Koch, Henrik.
Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence. Journal of Chemical Theory and Computation 2016 ;Volume 12. p. 535-548
NTNU Untitled
 
24 Hestad, Øystein Leif Gurandsrud; Vuong, Au-Dung; Madshaven, Inge; Åstrand, Per-Olof Harald.
Thermal Decomposition of Cyclohexane by Kinetic Monte Carlo Simulations and its Relevance to Streamer Formation. I: 2016 Annual Conference on Electric Insulation and Dielectric Phenomena - CEIDP 2016. IEEE conference proceedings 2016 ISBN 978-1-5090-4654-6. p. 404-407
ENERGISINT NTNU Untitled
 
25 Mahmoodinia, Mehdi; Chen, De; Åstrand, Per-Olof.
Platinum clusters with a carbon support material as catalysts: ReaxFF simulations and DFT calculations. Magical Mystery Tour of Electron Correlation; 2016-10-24 - 2016-10-26
NTNU Untitled
 
26 Mahmoodinia, Mehdi; Trinh, Thuat; Åstrand, Per-Olof.
Bond Scission Mechanisms of Ethylene Glycol on Pt Catalyst: Density Functional Theory. The 8th Molecular Quantum Mechanics; 2016-06-26 - 2016-07-01
NTNU Untitled
 
27 Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De.
CO Activation on Edge Functionalized Graphene-based Pt Clusters: Electronic and Catalytic Properties. Girona Seminar 2016: “Predictive Catalysis: Transition-Metal Reactivity by Design”; 2016-04-17 - 2016-04-20
NTNU Untitled
 
28 Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De.
Influence of Carbon Support on Electronic Structure and Catalytic Activity of Pt Catalysts: Binding to the CO Molecule. Journal of Physical Chemistry C 2016 ;Volume 120. p. 12452-12462
NTNU Untitled
 
29 Moqadam, Mahmoud.
Mechanistic Study of Chemical Reactions Using Path Sampling. : Skipnes Kommunikasjon as 2016 (ISBN 978+82+326+2070+8) 160 p.
NTNU Untitled
 
30 Walderhaug, Martin E.
Properties of gold clusters and molecule-coated gold clusters as studied by molecular modeling. : NTNU-IKJ 2016 69 p.
NTNU Untitled
 
31 Åstrand, Per-Olof.
Atomistic Models: Concepts in Computational Chemistry. bookboon.com 2016 (ISBN 978-87-403-1416-8) 126 p.
NTNU Untitled
 
32 Åstrand, Per-Olof.
Molecular modeling of dielectric properties. The first COREM Workshop; 2016-12-07 - 2016-12-08
NTNU Untitled
 
33 Åstrand, Per-Olof; Mahmoodinia, Mehdi; Chen, De.
Metal clusters on carbon surfaces as catalysts: Molecular dynamics simulations and quantum chemical calculations. International Conference of Computational Methods in Sciences and Engineering; 2016-03-17 - 2016-03-20
NTNU Untitled
 
2015
34 Daub, Christopher David; Tafjord, Joakim; Kjelstrup, Signe; Åstrand, Per-Olof; Bresme, Fernando.
Interplay between thermomolecular orientation and imposed density gradients in models of confined fluids. Pacifichem 2015; 2015-12-15 - 2015-12-21
NTNU Untitled
 
35 Daub, Christopher David; Zamiri, Reza; Österberg, Ulf Lennart; Åstrand, Per-Olof; Bresme, Fernando.
Probing thermomolecular orientation and fluid polarization by terahertz spectroscopy: Molecular dynamics simulations and experiments. Pacifichem 2015; 2015-12-15 - 2015-12-21
NTNU Untitled
 
36 Daub, Christopher David; Åstrand, Per-Olof; Bresme, Fernando.
Lithium ion-water clusters in strong electric fields: A quantum chemical study. Journal of Physical Chemistry A 2015 ;Volume 119.(20) p. 4983-4992
NTNU Untitled
 
37 Daub, Christopher David; Åstrand, Per-Olof; Tafjord, Joakim; Kjelstrup, Signe; Bresme, Fernando.
Orientational Effects in a Model Fluid Between Confining Walls and in a Thermal Gradient and/or an External Gravitational Field. 19th Symposium on Thermophysical Properties; 2015-06-21 - 2015-06-26
NTNU Untitled
 
38 Daub, Christopher David; Åstrand, Per-Olof; Zamiri, Reza; Österberg, Ulf Lennart; Bresme, Fernando.
Structural and Dynamic Correlations of Alkali Halide Salts in Water/Alcohol Mixtures: a Combined Optical Kerr Effect (OKE) Spectroscopy and Molecular Dynamics Investigation. 19th Symposium on Thermophysical Properties; 2015-06-21 - 2015-06-26
NTNU Untitled
 
39 Davari, Nazanin; Daub, Christopher David; Åstrand, Per-Olof; Unge, Mikael.
Local Field Factors and Dielectric Properties of Liquid Benzene. Journal of Physical Chemistry B 2015 ;Volume 119.(35) p. 11839-11845
NTNU Untitled
 
40 Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof.
Frequency-dependent local field factors in dielectric liquids by a polarizable force field and molecular dynamics simulations. AIP Conference Proceedings 2015 ;Volume 1702.
NTNU Untitled
 
41 Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof.
Frequency-dependent local field factors in dielectric liquids by a polarizable force field and molecular dynamics simulations. ICCMSE 2015; 2015-03-20 - 2015-03-23
NTNU Untitled
 
42 Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof.
Local field factors from a polarizable force field and molecular dynamics simulations. Annual Meeting in Quantum and Computational Chemistry; 2015-06-29 - 2015-06-30
NTNU Untitled
 
43 Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof; Schatz, George C..
Local electric field factors by a combined charge-transfer and point-dipole interaction model. RSC Advances 2015 ;Volume 5.(40) p. 31594-31605
NTNU Untitled
 
44 Davari, Nazanin; Åstrand, Per-Olof; Unge, Mikael.
Density-functional calculations of field-dependent ionization potentials and excitation energies of aromatic molecules. Chemical Physics 2015 ;Volume 447. p. 22-29
NTNU Untitled
 
45 Davari, Nazanin; Åstrand, Per-Olof; Unge, Mikael.
Molecular modeling in the design of electrically insulating liquids. Pacifichem; 2015-12-15 - 2015-12-20
NTNU Untitled
 
46 Davari, Nazanin.
Molecular modeling of ionization processes relevant for electrically insulating liquids. Trondheim: NTNU Grafisk senter 2015 (ISBN 978-82-326-0938-3) ;Volume 2015.105 p. Doktoravhandlinger ved NTNU(141)
NTNU Untitled
 
47 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof.
Optical Rotation Calculations of Fluorinated Alcohols and Amines. Annual Meeting in Quantum and Computational Chemistry; 2015-06-29 - 2015-06-30
NTNU Untitled
 
48 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof.
Optical Rotation Calculations of Fluorinated Alcohols and Amines: The Role of Basis Set Convergence. 10th European Conference on Computational Chemistry (EuCO-CC 2015); 2015-08-31 - 2015-09-03
NTNU Untitled
 
49 Lisø, Daniel; Åstrand, Per-Olof.
Effects of pressure on the piezoelectric performance of potassium niobate. NKS Annual Meeting in Quantum and Computational Chemistry; 2015-06-29 - 2015-06-30
NTNU Untitled
 
50 Mahmoodinia, Mehdi; Ebadi, Mahsa; Åstrand, Per-Olof; Chen, De.
Atomic and electronic structure of transition metal-graphene nanoflake interactions. The 15th International Congress of Quantum Chemistry; 2015-06-08 - 2015-06-13
NTNU Untitled
 
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