Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 70 entries
Sorted by: Best Match Show Resources per page
Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.

Dalton transactions (Cambridge, England : 2003)

Krytchankou IS, Krupenya DV, Karttunen AJ, Tunik SP, Pakkanen TA, Chou PT, Koshevoy IO.
PMID: 24384921
Dalton Trans. 2014 Feb 28;43(8):3383-94. doi: 10.1039/c3dt52658e.

The reactions of gold acetylides (AuC2R)n with triphosphine ligands PPh2-(CH2)n-PPh-(CH2)2-PPh2 (n = 1, dpmp; 2, dpep) in the presence of M(+) ions (M = Cu, Ag) lead to an assembly of the heterometallic clusters, the composition of which is...

Cite
Krytchankou IS, Krupenya DV, Karttunen AJ, et al. Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters. Dalton Trans. 2014;43(8):3383-94doi: 10.1039/c3dt52658e.
Krytchankou, I. S., Krupenya, D. V., Karttunen, A. J., Tunik, S. P., Pakkanen, T. A., Chou, P. T., & Koshevoy, I. O. (2014). Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters. Dalton transactions (Cambridge, England : 2003), 43(8), 3383-94. https://doi.org/10.1039/c3dt52658e
Krytchankou, Ilya S, et al. "Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters." Dalton transactions (Cambridge, England : 2003) vol. 43,8 (2014): 3383-94. doi: https://doi.org/10.1039/c3dt52658e
Krytchankou IS, Krupenya DV, Karttunen AJ, Tunik SP, Pakkanen TA, Chou PT, Koshevoy IO. Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters. Dalton Trans. 2014 Feb 28;43(8):3383-94. doi: 10.1039/c3dt52658e. PMID: 24384921.
Copy Download .nbib Format: NLM
Preparation, X-ray Structure, and Spectroscopic Characterization of 1,5-Se(2)S(2)N(4).

Inorganic chemistry

Maaninen A, Laitinen RS, Chivers T, Pakkanen TA.
PMID: 11671087
Inorg Chem. 1999 Jul 26;38(15):3450-3454. doi: 10.1021/ic990179i.

The reaction of [(Me(3)Si)(2)N](2)S with equimolar amounts of SCl(2) and SO(2)Cl(2) produces S(4)N(4) in a good yield. The new chalcogen nitride 1,5-Se(2)S(2)N(4) has been prepared in high yield by two different reactions: (a) from [(Me(3)Si)(2)N](2)S and SeCl(4) and (b)...

Cite
Maaninen A, Laitinen RS, Chivers T, et al. Preparation, X-ray Structure, and Spectroscopic Characterization of 1,5-Se(2)S(2)N(4). Inorg Chem. 1999;38(15):3450-3454doi: 10.1021/ic990179i.
Maaninen, A., Laitinen, R. S., Chivers, T., & Pakkanen, T. A. (1999). Preparation, X-ray Structure, and Spectroscopic Characterization of 1,5-Se(2)S(2)N(4). Inorganic chemistry, 38(15), 3450-3454. https://doi.org/10.1021/ic990179i
Maaninen, Arto, et al. "Preparation, X-ray Structure, and Spectroscopic Characterization of 1,5-Se(2)S(2)N(4)." Inorganic chemistry vol. 38,15 (1999): 3450-3454. doi: https://doi.org/10.1021/ic990179i
Maaninen A, Laitinen RS, Chivers T, Pakkanen TA. Preparation, X-ray Structure, and Spectroscopic Characterization of 1,5-Se(2)S(2)N(4). Inorg Chem. 1999 Jul 26;38(15):3450-3454. doi: 10.1021/ic990179i. PMID: 11671087.
Copy Download .nbib Format: NLM
Potential energy surfaces for small alcohol dimers I: methanol and ethanol.

The Journal of chemical physics

Rowley RL, Tracy CM, Pakkanen TA.
PMID: 17059250
J Chem Phys. 2006 Oct 21;125(15):154302. doi: 10.1063/1.2356467.

Potential energy landscapes for homogeneous dimers of methanol and ethanol were calculated using counterpoise (CP) corrected energies at the MP26-311+G(2df,2pd) level. The landscapes were sampled at approximately 15 dimer separation distances for different relative monomer geometries, or routes, given...

Cite
Rowley RL, Tracy CM, Pakkanen TA. Potential energy surfaces for small alcohol dimers I: methanol and ethanol. J Chem Phys. 2006;125(15):154302doi: 10.1063/1.2356467.
Rowley, R. L., Tracy, C. M., & Pakkanen, T. A. (2006). Potential energy surfaces for small alcohol dimers I: methanol and ethanol. The Journal of chemical physics, 125(15), 154302. https://doi.org/10.1063/1.2356467
Rowley, Richard L, et al. "Potential energy surfaces for small alcohol dimers I: methanol and ethanol." The Journal of chemical physics vol. 125,15 (2006): 154302. doi: https://doi.org/10.1063/1.2356467
Rowley RL, Tracy CM, Pakkanen TA. Potential energy surfaces for small alcohol dimers I: methanol and ethanol. J Chem Phys. 2006 Oct 21;125(15):154302. doi: 10.1063/1.2356467. PMID: 17059250.
Copy Download .nbib Format: NLM
Structural characteristics of hydrogenated carbon and boron nitride nanotubes: impact of H-H interactions.

Chemphyschem : a European journal of chemical physics and physical chemistry

Tanskanen JT, Linnolahti M, Karttunen AJ, Pakkanen TA.
PMID: 18830994
Chemphyschem. 2008 Nov 10;9(16):2390-6. doi: 10.1002/cphc.200800389.

The structural characteristics of perhydrogenated carbon and boron nitride nanotubes are determined by means of quantum chemical calculations. Two families of nanotubes are systematically studied for both carbon and boron nitride, the nanotubes being derived from the perhydrogenated (110)...

Cite
Tanskanen JT, Linnolahti M, Karttunen AJ, et al. Structural characteristics of hydrogenated carbon and boron nitride nanotubes: impact of H-H interactions. Chemphyschem. 2008;9(16):2390-6doi: 10.1002/cphc.200800389.
Tanskanen, J. T., Linnolahti, M., Karttunen, A. J., & Pakkanen, T. A. (2008). Structural characteristics of hydrogenated carbon and boron nitride nanotubes: impact of H-H interactions. Chemphyschem : a European journal of chemical physics and physical chemistry, 9(16), 2390-6. https://doi.org/10.1002/cphc.200800389
Tanskanen, Jukka T, et al. "Structural characteristics of hydrogenated carbon and boron nitride nanotubes: impact of H-H interactions." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 9,16 (2008): 2390-6. doi: https://doi.org/10.1002/cphc.200800389
Tanskanen JT, Linnolahti M, Karttunen AJ, Pakkanen TA. Structural characteristics of hydrogenated carbon and boron nitride nanotubes: impact of H-H interactions. Chemphyschem. 2008 Nov 10;9(16):2390-6. doi: 10.1002/cphc.200800389. PMID: 18830994.
Copy Download .nbib Format: NLM
Structural principles of polyhedral allotropes of phosphorus.

Chemphyschem : a European journal of chemical physics and physical chemistry

Karttunen AJ, Linnolahti M, Pakkanen TA.
PMID: 18979491
Chemphyschem. 2008 Dec 01;9(17):2550-8. doi: 10.1002/cphc.200800646.

We derive the structural principles of polyhedral allotropes of phosphorus, introducing three distinct families of black phosphorus nanostructures. The predicted tetrahedral, octahedral, and icosahedral phosphorus cages can also be considered as phosphorus fullerenes. Phosphorus cages up to P(888) are...

Cite
Karttunen AJ, Linnolahti M, Pakkanen TA. Structural principles of polyhedral allotropes of phosphorus. Chemphyschem. 2008;9(17):2550-8doi: 10.1002/cphc.200800646.
Karttunen, A. J., Linnolahti, M., & Pakkanen, T. A. (2008). Structural principles of polyhedral allotropes of phosphorus. Chemphyschem : a European journal of chemical physics and physical chemistry, 9(17), 2550-8. https://doi.org/10.1002/cphc.200800646
Karttunen, Antti J, et al. "Structural principles of polyhedral allotropes of phosphorus." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 9,17 (2008): 2550-8. doi: https://doi.org/10.1002/cphc.200800646
Karttunen AJ, Linnolahti M, Pakkanen TA. Structural principles of polyhedral allotropes of phosphorus. Chemphyschem. 2008 Dec 01;9(17):2550-8. doi: 10.1002/cphc.200800646. PMID: 18979491.
Copy Download .nbib Format: NLM
Molecular dynamics simulations of water droplets on polymer surfaces.

The Journal of chemical physics

Hirvi JT, Pakkanen TA.
PMID: 17042636
J Chem Phys. 2006 Oct 14;125(14):144712. doi: 10.1063/1.2356470.

Molecular dynamics simulations were used to study the wetting of polymer surfaces with water. Contact angles of water droplets on crystalline and two amorphous polyethylene (PE) and poly(vinyl chloride) (PVC) surfaces were extracted from atomistic simulations. Crystalline surfaces were...

Cite
Hirvi JT, Pakkanen TA. Molecular dynamics simulations of water droplets on polymer surfaces. J Chem Phys. 2006;125(14):144712doi: 10.1063/1.2356470.
Hirvi, J. T., & Pakkanen, T. A. (2006). Molecular dynamics simulations of water droplets on polymer surfaces. The Journal of chemical physics, 125(14), 144712. https://doi.org/10.1063/1.2356470
Hirvi, Janne T, and Pakkanen, Tapani A. "Molecular dynamics simulations of water droplets on polymer surfaces." The Journal of chemical physics vol. 125,14 (2006): 144712. doi: https://doi.org/10.1063/1.2356470
Hirvi JT, Pakkanen TA. Molecular dynamics simulations of water droplets on polymer surfaces. J Chem Phys. 2006 Oct 14;125(14):144712. doi: 10.1063/1.2356470. PMID: 17042636.
Copy Download .nbib Format: NLM
Potential energy surfaces for small alcohol dimers. II. Propanol, isopropanol, t-butanol, and sec-butanol.

The Journal of chemical physics

Rowley RL, Tracy CM, Pakkanen TA.
PMID: 17640149
J Chem Phys. 2007 Jul 14;127(2):025101. doi: 10.1063/1.2747244.

Potential energy landscapes for homogeneous dimers of propanol, isopropanol, tert-butanol, and sec-butanol were obtained using 735 counterpoise-corrected energies at the MP2/6-311+G(2df,2pd) level. The landscapes were sampled at 15 dimer separation distances for different relative monomer geometries, or routes, given...

Cite
Rowley RL, Tracy CM, Pakkanen TA. Potential energy surfaces for small alcohol dimers. II. Propanol, isopropanol, t-butanol, and sec-butanol. J Chem Phys. 2007;127(2):025101doi: 10.1063/1.2747244.
Rowley, R. L., Tracy, C. M., & Pakkanen, T. A. (2007). Potential energy surfaces for small alcohol dimers. II. Propanol, isopropanol, t-butanol, and sec-butanol. The Journal of chemical physics, 127(2), 025101. https://doi.org/10.1063/1.2747244
Rowley, Richard L, et al. "Potential energy surfaces for small alcohol dimers. II. Propanol, isopropanol, t-butanol, and sec-butanol." The Journal of chemical physics vol. 127,2 (2007): 025101. doi: https://doi.org/10.1063/1.2747244
Rowley RL, Tracy CM, Pakkanen TA. Potential energy surfaces for small alcohol dimers. II. Propanol, isopropanol, t-butanol, and sec-butanol. J Chem Phys. 2007 Jul 14;127(2):025101. doi: 10.1063/1.2747244. PMID: 17640149.
Copy Download .nbib Format: NLM
Icosahedral and ring-shaped allotropes of phosphorus.

Chemistry (Weinheim an der Bergstrasse, Germany)

Karttunen AJ, Linnolahti M, Pakkanen TA.
PMID: 17373003
Chemistry. 2007;13(18):5232-7. doi: 10.1002/chem.200601572.

The existence of two new allotropic forms of phosphorus, icosahedral cages and ring-shaped chains, is predicted. The cages and rings are nanostructural modifications of the black and the red phosphorus, respectively. The icosahedral and ring-shaped allotropes are compared with...

Cite
Karttunen AJ, Linnolahti M, Pakkanen TA. Icosahedral and ring-shaped allotropes of phosphorus. Chemistry. 2007;13(18):5232-7doi: 10.1002/chem.200601572.
Karttunen, A. J., Linnolahti, M., & Pakkanen, T. A. (2007). Icosahedral and ring-shaped allotropes of phosphorus. Chemistry (Weinheim an der Bergstrasse, Germany), 13(18), 5232-7. https://doi.org/10.1002/chem.200601572
Karttunen, Antti J, et al. "Icosahedral and ring-shaped allotropes of phosphorus." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 13,18 (2007): 5232-7. doi: https://doi.org/10.1002/chem.200601572
Karttunen AJ, Linnolahti M, Pakkanen TA. Icosahedral and ring-shaped allotropes of phosphorus. Chemistry. 2007;13(18):5232-7. doi: 10.1002/chem.200601572. PMID: 17373003.
Copy Download .nbib Format: NLM
Mechanically robust superhydrophobic polymer surfaces based on protective micropillars.

Langmuir : the ACS journal of surfaces and colloids

Huovinen E, Takkunen L, Korpela T, Suvanto M, Pakkanen TT, Pakkanen TA.
PMID: 24483340
Langmuir. 2014 Feb 11;30(5):1435-43. doi: 10.1021/la404248d. Epub 2014 Jan 31.

Considerable attention is currently being devoted less to the question of whether it is possible to produce superhydrophobic polymer surfaces than to just how robust they can be made. The present study demonstrates a new route for improving the...

Cite
Huovinen E, Takkunen L, Korpela T, et al. Mechanically robust superhydrophobic polymer surfaces based on protective micropillars. Langmuir. 2014;30(5):1435-43doi: 10.1021/la404248d.
Huovinen, E., Takkunen, L., Korpela, T., Suvanto, M., Pakkanen, T. T., & Pakkanen, T. A. (2014). Mechanically robust superhydrophobic polymer surfaces based on protective micropillars. Langmuir : the ACS journal of surfaces and colloids, 30(5), 1435-43. https://doi.org/10.1021/la404248d
Huovinen, Eero, et al. "Mechanically robust superhydrophobic polymer surfaces based on protective micropillars." Langmuir : the ACS journal of surfaces and colloids vol. 30,5 (2014): 1435-43. doi: https://doi.org/10.1021/la404248d
Huovinen E, Takkunen L, Korpela T, Suvanto M, Pakkanen TT, Pakkanen TA. Mechanically robust superhydrophobic polymer surfaces based on protective micropillars. Langmuir. 2014 Feb 11;30(5):1435-43. doi: 10.1021/la404248d. Epub 2014 Jan 31. PMID: 24483340.
Copy Download .nbib Format: NLM
Structural characteristics of graphane-type C and BN nanostructures by periodic local MP2 approach.

Chemphyschem : a European journal of chemical physics and physical chemistry

Tanskanen JT, Maschio L, Karttunen AJ, Linnolahti M, Pakkanen TA.
PMID: 22615187
Chemphyschem. 2012 Jun 18;13(9):2361-7. doi: 10.1002/cphc.201200189. Epub 2012 May 21.

The structural characteristics of fully-hydrogenated carbon and boron nitride mono- and multilayer slabs, together with nanotubes derived from the slabs, are investigated mainly by means of periodic local second-order Møller-Plesset perturbation (LMP2) calculations and the results are compared with...

Cite
Tanskanen JT, Maschio L, Karttunen AJ, et al. Structural characteristics of graphane-type C and BN nanostructures by periodic local MP2 approach. Chemphyschem. 2012;13(9):2361-7doi: 10.1002/cphc.201200189.
Tanskanen, J. T., Maschio, L., Karttunen, A. J., Linnolahti, M., & Pakkanen, T. A. (2012). Structural characteristics of graphane-type C and BN nanostructures by periodic local MP2 approach. Chemphyschem : a European journal of chemical physics and physical chemistry, 13(9), 2361-7. https://doi.org/10.1002/cphc.201200189
Tanskanen, Jukka T, et al. "Structural characteristics of graphane-type C and BN nanostructures by periodic local MP2 approach." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 13,9 (2012): 2361-7. doi: https://doi.org/10.1002/cphc.201200189
Tanskanen JT, Maschio L, Karttunen AJ, Linnolahti M, Pakkanen TA. Structural characteristics of graphane-type C and BN nanostructures by periodic local MP2 approach. Chemphyschem. 2012 Jun 18;13(9):2361-7. doi: 10.1002/cphc.201200189. Epub 2012 May 21. PMID: 22615187.
Copy Download .nbib Format: NLM
Syntheses and structural characterization of the heavier alkali-metal stannates bearing the tripodal triamino framework: structural trends in the series of [MeSi(SiMe2N(4-CH3C6H4))3Sn][M] (M = Na, K, Rb).

Inorganic chemistry

Lutz M, Haukka M, Pakkanen TA, Gade LH.
PMID: 12691591
Inorg Chem. 2003 Apr 21;42(8):2798-804. doi: 10.1021/ic026226f.

Treatment of the lithium stannate [MeSi(SiMe(2)N(4-CH(3)C(6)H(4)))(3)SnLi(OEt(2))] (1) with AgCl yielded the corresponding distannane [MeSi(SiMe(2)N(4-CH(3)C(6)H(4)))(3)Sn](2) (2) as the product of an oxidative coupling in good yield. The distannane (2) underwent reductive cleavage with the heavier alkali metals (sodium, potassium, rubidium)...

Cite
Lutz M, Haukka M, Pakkanen TA, et al. Syntheses and structural characterization of the heavier alkali-metal stannates bearing the tripodal triamino framework: structural trends in the series of [MeSi(SiMe2N(4-CH3C6H4))3Sn][M] (M = Na, K, Rb). Inorg Chem. 2003;42(8):2798-804doi: 10.1021/ic026226f.
Lutz, M., Haukka, M., Pakkanen, T. A., & Gade, L. H. (2003). Syntheses and structural characterization of the heavier alkali-metal stannates bearing the tripodal triamino framework: structural trends in the series of [MeSi(SiMe2N(4-CH3C6H4))3Sn][M] (M = Na, K, Rb). Inorganic chemistry, 42(8), 2798-804. https://doi.org/10.1021/ic026226f
Lutz, Matthias, et al. "Syntheses and structural characterization of the heavier alkali-metal stannates bearing the tripodal triamino framework: structural trends in the series of [MeSi(SiMe2N(4-CH3C6H4))3Sn][M] (M = Na, K, Rb)." Inorganic chemistry vol. 42,8 (2003): 2798-804. doi: https://doi.org/10.1021/ic026226f
Lutz M, Haukka M, Pakkanen TA, Gade LH. Syntheses and structural characterization of the heavier alkali-metal stannates bearing the tripodal triamino framework: structural trends in the series of [MeSi(SiMe2N(4-CH3C6H4))3Sn][M] (M = Na, K, Rb). Inorg Chem. 2003 Apr 21;42(8):2798-804. doi: 10.1021/ic026226f. PMID: 12691591.
Copy Download .nbib Format: NLM
Ab initio calculations and mass spectrometric determination of the gas-phase proton affinities of 4,4'-disubstituted 2,2'-bipyridines.

The Journal of organic chemistry

Oresmaa L, Haukka M, Vainiotalo P, Pakkanen TA.
PMID: 12423154
J Org Chem. 2002 Nov 15;67(23):8216-9. doi: 10.1021/jo026126r.

The gas-phase proton affinities of 4,4'-di(R)-2,2'-bipyridines (R: H, Br, Cl, NO(2), Me) were determined by mass spectrometric measurements and by ab initio calculations at the HF/6-31G and MP2/6-31G levels of theory. The energy barriers for rotation about the central...

Cite
Oresmaa L, Haukka M, Vainiotalo P, et al. Ab initio calculations and mass spectrometric determination of the gas-phase proton affinities of 4,4'-disubstituted 2,2'-bipyridines. J Org Chem. 2002;67(23):8216-9doi: 10.1021/jo026126r.
Oresmaa, L., Haukka, M., Vainiotalo, P., & Pakkanen, T. A. (2002). Ab initio calculations and mass spectrometric determination of the gas-phase proton affinities of 4,4'-disubstituted 2,2'-bipyridines. The Journal of organic chemistry, 67(23), 8216-9. https://doi.org/10.1021/jo026126r
Oresmaa, Larisa, et al. "Ab initio calculations and mass spectrometric determination of the gas-phase proton affinities of 4,4'-disubstituted 2,2'-bipyridines." The Journal of organic chemistry vol. 67,23 (2002): 8216-9. doi: https://doi.org/10.1021/jo026126r
Oresmaa L, Haukka M, Vainiotalo P, Pakkanen TA. Ab initio calculations and mass spectrometric determination of the gas-phase proton affinities of 4,4'-disubstituted 2,2'-bipyridines. J Org Chem. 2002 Nov 15;67(23):8216-9. doi: 10.1021/jo026126r. PMID: 12423154.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 70 entries