Astrand PO - Search Results

1

Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol.

Mahmoodinia M, Trinh TT, Åstrand PO, Tran KQ. Mahmoodinia M, et al. Among authors: astrand po. Phys Chem Chem Phys. 2017 Nov 1;19(42):28596-28603. doi: 10.1039/c7cp04485b. Phys Chem Chem Phys. 2017. PMID: 29043308

2

Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles.

Haghdani S, Hoff BH, Koch H, Åstrand PO. Haghdani S, et al. Among authors: astrand po. J Phys Chem A. 2017 Jun 29;121(25):4765-4777. doi: 10.1021/acs.jpca.6b12149. Epub 2017 Jun 16. J Phys Chem A. 2017. PMID: 28562042

3

Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters.

Haghdani S, Hoff BH, Koch H, Åstrand PO. Haghdani S, et al. Among authors: astrand po. J Phys Chem A. 2016 Oct 13;120(40):7973-7986. doi: 10.1021/acs.jpca.6b08899. Epub 2016 Oct 4. J Phys Chem A. 2016. PMID: 27652907

4

Optical Rotation Calculations for a Set of Pyrrole Compounds.

Haghdani S, Gautun OR, Koch H, Åstrand PO. Haghdani S, et al. Among authors: astrand po. J Phys Chem A. 2016 Sep 22;120(37):7351-60. doi: 10.1021/acs.jpca.6b07004. Epub 2016 Sep 9. J Phys Chem A. 2016. PMID: 27571252

5

Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence.

Haghdani S, Åstrand PO, Koch H. Haghdani S, et al. Among authors: astrand po. J Chem Theory Comput. 2016 Feb 9;12(2):535-48. doi: 10.1021/acs.jctc.5b00721. Epub 2016 Jan 25. J Chem Theory Comput. 2016. PMID: 26672621

6

A test on reactive force fields for the study of silica dimerization reactions.

Moqadam M, Riccardi E, Trinh TT, Åstrand PO, van Erp TS. Moqadam M, et al. Among authors: astrand po. J Chem Phys. 2015 Nov 14;143(18):184113. doi: 10.1063/1.4935179. J Chem Phys. 2015. PMID: 26567652

7

Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids.

Mehandzhiyski AY, Riccardi E, van Erp TS, Koch H, Åstrand PO, Trinh TT, Grimes BA. Mehandzhiyski AY, et al. Among authors: astrand po. J Phys Chem A. 2015 Oct 8;119(40):10195-203. doi: 10.1021/acs.jpca.5b04136. Epub 2015 Sep 24. J Phys Chem A. 2015. PMID: 26331433

8

Local Field Factors and Dielectric Properties of Liquid Benzene.

Davari N, Daub CD, Åstrand PO, Unge M. Davari N, et al. Among authors: astrand po. J Phys Chem B. 2015 Sep 3;119(35):11839-45. doi: 10.1021/acs.jpcb.5b07043. Epub 2015 Aug 13. J Phys Chem B. 2015. PMID: 26241379

9

Lithium ion-water clusters in strong electric fields: a quantum chemical study.

Daub CD, Åstrand PO, Bresme F. Daub CD, et al. Among authors: astrand po. J Phys Chem A. 2015 May 21;119(20):4983-92. doi: 10.1021/acs.jpca.5b01822. Epub 2015 May 5. J Phys Chem A. 2015. PMID: 25918829 Free article.

10

Complex frequency-dependent polarizability through the π → π* excitation energy of azobenzene molecules by a combined charge-transfer and point-dipole interaction model.

Haghdani S, Davari N, Sandnes R, Åstrand PO. Haghdani S, et al. Among authors: astrand po. J Phys Chem A. 2014 Nov 26;118(47):11282-92. doi: 10.1021/jp507639z. Epub 2014 Nov 17. J Phys Chem A. 2014. PMID: 25356936

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