2021
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1. |
Madshaven, Inge; Hestad, Øystein Leif Gurandsrud; Åstrand, Per-Olof. Cerman: Software for simulating streamer propagation in dielectric liquids based on the Townsend–Meek criterion. Computer Physics Communications 2021 ;Volume 265. p. - ENERGISINT NTNU
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2020
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2. |
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
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3. |
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. ENERGISINT NTNU
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4. |
Åstrand, Per-Olof; Bresme, Fernando. Teaching basic classical thermodynamics through statistical thermodynamics – thermodynamics kept simple. Kjemi 2020 ;Volume 2. p. 22-25 NTNU
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2019
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5. |
Fjeldstad, Christopher. Datadrevet Prediksjon av Båndgap for Multielement Krystallinske Materialer . Trondheim: NTNU 2019 63 p. NTNU
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6. |
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
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2018
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7. |
Bresme, Fernando; Åstrand, Per-Olof. Some like it hot ... or cold! Manipulating fluids with thermal fields. Kjemi 2018 (6) p. 15-18 NTNU
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8. |
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
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9. |
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
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10. |
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
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2017
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11. |
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
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12. |
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
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13. |
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
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14. |
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
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15. |
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
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16. |
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
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17. |
Åstrand, Per-Olof. Metal clusters on carbon surfaces as catalysts: Insights from atomistic calculations. University of Copenhagen; 2017-04-20 - 2017-04-20 NTNU
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18. |
Åstrand, Per-Olof. Open access to scientific papers and academic textbooks. Kjemi 2017 ;Volume 3. p. 10-11 NTNU
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2016
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19. |
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
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20. |
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
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21. |
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
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22. |
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
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23. |
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
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24. |
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
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25. |
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
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26. |
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
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27. |
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
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28. |
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
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29. |
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
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30. |
Moqadam, Mahmoud. Mechanistic Study of Chemical Reactions Using Path Sampling. : Skipnes Kommunikasjon as 2016 (ISBN 978+82+326+2070+8) 160 p. NTNU
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31. |
Walderhaug, Martin E. Properties of gold clusters and molecule-coated gold clusters as studied by molecular modeling. : NTNU-IKJ 2016 69 p. NTNU
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32. |
Åstrand, Per-Olof. Atomistic Models: Concepts in Computational Chemistry. bookboon.com 2016 (ISBN 978-87-403-1416-8) 126 p. NTNU
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33. |
Åstrand, Per-Olof. Molecular modeling of dielectric properties. The first COREM Workshop; 2016-12-07 - 2016-12-08 NTNU
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34. |
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
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2015
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35. |
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
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36. |
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
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37. |
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
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38. |
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
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39. |
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
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40. |
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
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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
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42. |
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
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43. |
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
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44. |
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
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45. |
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
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46. |
Davari, Nazanin; Åstrand, Per-Olof; Unge, Mikael. Molecular modeling in the design of electrically insulating liquids. Pacifichem; 2015-12-15 - 2015-12-20 NTNU
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47. |
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
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48. |
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
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49. |
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
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50. |
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
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