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Items: 41

1.

Guiding developments in flood-prone areas: Challenges and opportunities in Dire Dawa city, Ethiopia.

Akola J, Binala J, Ochwo J.

Jamba. 2019 Jul 5;11(3):704. doi: 10.4102/jamba.v11i3.704. eCollection 2019.

2.

Varying oxygen coverage on Cu55 and its effect on CO oxidation.

Ma L, Akola J.

Phys Chem Chem Phys. 2019 Jun 7;21(21):11351-11358. doi: 10.1039/c9cp00974d. Epub 2019 May 20.

PMID:
31107472
3.

CLEASE: a versatile and user-friendly implementation of cluster expansion method.

Chang JH, Kleiven D, Melander M, Akola J, Garcia-Lastra JM, Vegge T.

J Phys Condens Matter. 2019 Aug 14;31(32):325901. doi: 10.1088/1361-648X/ab1bbc. Epub 2019 Apr 23.

PMID:
31013487
4.

The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers.

Lolicato F, Joly L, Martinez-Seara H, Fragneto G, Scoppola E, Baldelli Bombelli F, Vattulainen I, Akola J, Maccarini M.

Small. 2019 Jun;15(23):e1805046. doi: 10.1002/smll.201805046. Epub 2019 Apr 23.

PMID:
31012268
5.

Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters.

Chevrier DM, Raich L, Rovira C, Das A, Luo Z, Yao Q, Chatt A, Xie J, Jin R, Akola J, Zhang P.

J Am Chem Soc. 2018 Nov 14;140(45):15430-15436. doi: 10.1021/jacs.8b09440. Epub 2018 Oct 30.

PMID:
30339759
6.

Speeding up crystallization.

Akola J, Jones RO.

Science. 2017 Dec 15;358(6369):1386. doi: 10.1126/science.aaq0476. No abstract available.

PMID:
29242333
7.

Density functional study of structure and dynamics in liquid antimony and Sbn clusters.

Jones RO, Ahlstedt O, Akola J, Ropo M.

J Chem Phys. 2017 May 21;146(19):194502. doi: 10.1063/1.4983219.

8.

The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster.

Rojas-Cervellera V, Raich L, Akola J, Rovira C.

Nanoscale. 2017 Mar 2;9(9):3121-3127. doi: 10.1039/c6nr08498b.

PMID:
28210717
9.

Collective excitations and viscosity in liquid Bi.

Ropo M, Akola J, Jones RO.

J Chem Phys. 2016 Nov 14;145(18):184502.

PMID:
27846672
10.

Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene.

Paavilainen S, Ropo M, Nieminen J, Akola J, Räsänen E.

Nano Lett. 2016 Jun 8;16(6):3519-23. doi: 10.1021/acs.nanolett.6b00397. Epub 2016 May 19.

PMID:
27176628
11.

DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts.

Ma L, Melander M, Weckman T, Lipasti S, Laasonen K, Akola J.

J Mol Graph Model. 2016 Apr;65:61-70. doi: 10.1016/j.jmgm.2016.02.007. Epub 2016 Feb 20.

PMID:
26930446
12.

The electrooxidation-induced structural changes of gold di-superatomic molecules: Au23vs. Au25.

Matsuo S, Yamazoe S, Goh JQ, Akola J, Tsukuda T.

Phys Chem Chem Phys. 2016 Feb 14;18(6):4822-7. doi: 10.1039/c5cp06969f.

PMID:
26806844
13.

How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au25(SR)18(-)?

Rojas-Cervellera V, Rovira C, Akola J.

J Phys Chem Lett. 2015 Oct 1;6(19):3859-65. doi: 10.1021/acs.jpclett.5b01382. Epub 2015 Sep 15.

PMID:
26722882
14.

Structure of amorphous Ag/Ge/S alloys: experimentally constrained density functional study.

Akola J, Beuneu B, Jones RO, Jóvári P, Kaban I, Kolář J, Voleská I, Wágner T.

J Phys Condens Matter. 2015 Dec 9;27(48):485304. doi: 10.1088/0953-8984/27/48/485304. Epub 2015 Nov 16.

PMID:
26569035
15.

Simple metal under tensile stress: layer-dependent herringbone reconstruction of thin potassium films on graphite.

Yin F, Kulju S, Koskinen P, Akola J, Palmer RE.

Sci Rep. 2015 May 11;5:10165. doi: 10.1038/srep10165.

16.

CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activity.

Ma L, Melander M, Laasonen K, Akola J.

Phys Chem Chem Phys. 2015 Mar 14;17(10):7067-76. doi: 10.1039/c5cp00365b.

PMID:
25687378
17.

Real-space Wigner-Seitz cells imaging of potassium on graphite via elastic atomic manipulation.

Yin F, Koskinen P, Kulju S, Akola J, Palmer RE.

Sci Rep. 2015 Feb 5;5:8276. doi: 10.1038/srep08276.

18.

Atomic and electronic structures of an extremely fragile liquid.

Kohara S, Akola J, Patrikeev L, Ropo M, Ohara K, Itou M, Fujiwara A, Yahiro J, Okada JT, Ishikawa T, Mizuno A, Masuno A, Watanabe Y, Usuki T.

Nat Commun. 2014 Dec 18;5:5892. doi: 10.1038/ncomms6892.

19.

Structure and dynamics in liquid bismuth and Bi(n) clusters: a density functional study.

Akola J, Atodiresei N, Kalikka J, Larrucea J, Jones RO.

J Chem Phys. 2014 Nov 21;141(19):194503. doi: 10.1063/1.4901525.

PMID:
25416894
20.

Atomistic simulations of anionic Au144(SR)60 nanoparticles interacting with asymmetric model lipid membranes.

Heikkilä E, Martinez-Seara H, Gurtovenko AA, Vattulainen I, Akola J.

Biochim Biophys Acta. 2014 Nov;1838(11):2852-60. doi: 10.1016/j.bbamem.2014.07.027. Epub 2014 Aug 7.

21.

Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment.

Ganesan A, Dreyer J, Wang F, Akola J, Larrucea J.

J Mol Graph Model. 2013 Sep;45:180-91. doi: 10.1016/j.jmgm.2013.08.015. Epub 2013 Aug 28.

PMID:
24056305
22.

Network topology for the formation of solvated electrons in binary CaO-Al2O3 composition glasses.

Akola J, Kohara S, Ohara K, Fujiwara A, Watanabe Y, Masuno A, Usuki T, Kubo T, Nakahira A, Nitta K, Uruga T, Weber JK, Benmore CJ.

Proc Natl Acad Sci U S A. 2013 Jun 18;110(25):10129-34. doi: 10.1073/pnas.1300908110. Epub 2013 May 30.

23.

Density functional simulations of structure and polymorphism in Ga/Sb films.

Kalikka J, Akola J, Jones RO.

J Phys Condens Matter. 2013 Mar 20;25(11):115801. doi: 10.1088/0953-8984/25/11/115801. Epub 2013 Feb 20.

PMID:
23423720
24.

The structure of MgO-SiO2 glasses at elevated pressure.

Wilding M, Guthrie M, Kohara S, Bull CL, Akola J, Tucker MG.

J Phys Condens Matter. 2012 Jun 6;24(22):225403. doi: 10.1088/0953-8984/24/22/225403. Epub 2012 May 11. Erratum in: J Phys Condens Matter. 2012 Aug 22;24(33):339501.

PMID:
22580970
25.

Amorphous Ge₁₅Te₈₅: density functional, high-energy x-ray and neutron diffraction study.

Kalikka J, Akola J, Jones RO, Kohara S, Usuki T.

J Phys Condens Matter. 2012 Jan 11;24(1):015802. doi: 10.1088/0953-8984/24/1/015802. Epub 2011 Dec 8.

PMID:
22155923
26.

Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses.

Kohara S, Akola J, Morita H, Suzuya K, Weber JK, Wilding MC, Benmore CJ.

Proc Natl Acad Sci U S A. 2011 Sep 6;108(36):14780-5. doi: 10.1073/pnas.1104692108. Epub 2011 Aug 22.

27.

From local structure to nanosecond recrystallization dynamics in AgInSbTe phase-change materials.

Matsunaga T, Akola J, Kohara S, Honma T, Kobayashi K, Ikenaga E, Jones RO, Yamada N, Takata M, Kojima R.

Nat Mater. 2011 Feb;10(2):129-34. doi: 10.1038/nmat2931. Epub 2011 Jan 9.

PMID:
21217690
28.

Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters.

Lopez-Acevedo O, Kacprzak KA, Akola J, Häkkinen H.

Nat Chem. 2010 Apr;2(4):329-34. doi: 10.1038/nchem.589. Epub 2010 Mar 24.

PMID:
21124516
29.

Steered molecular dynamics simulations of ligand-receptor interaction in lipocalins.

Kalikka J, Akola J.

Eur Biophys J. 2011 Feb;40(2):181-94. doi: 10.1007/s00249-010-0638-3. Epub 2010 Nov 13.

PMID:
21072508
30.

Comment on "Formation of large voids in the amorphous phase-change memory Ge2Sb2Te5 alloy".

Akola J, Jones RO.

Phys Rev Lett. 2010 Jan 8;104(1):019603; author replly 019604. Epub 2010 Jan 6. No abstract available.

PMID:
20366403
31.

First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters.

Kacprzak KA, Akola J, Häkkinen H.

Phys Chem Chem Phys. 2009 Aug 14;11(30):6359-64. doi: 10.1039/b822765a. Epub 2009 May 27.

PMID:
19809667
32.

A density functional investigation of thiolate-protected bimetal PdAu(24)(SR)(18)(z) clusters: doping the superatom complex.

Kacprzak KA, Lehtovaara L, Akola J, Lopez-Acevedo O, Häkkinen H.

Phys Chem Chem Phys. 2009 Sep 7;11(33):7123-9. doi: 10.1039/b904491d. Epub 2009 Jun 11.

PMID:
19672520
33.

Bright beaches of nanoscale potassium islands on graphite in STM imaging.

Yin F, Akola J, Koskinen P, Manninen M, Palmer RE.

Phys Rev Lett. 2009 Mar 13;102(10):106102. Epub 2009 Mar 9.

PMID:
19392129
34.

Density functional study of amorphous, liquid and crystalline Ge(2)Sb(2)Te(5): homopolar bonds and/or AB alternation?

Akola J, Jones RO.

J Phys Condens Matter. 2008 Nov 19;20(46):465103. doi: 10.1088/0953-8984/20/46/465103. Epub 2008 Sep 30.

PMID:
21693837
35.

A unified view of ligand-protected gold clusters as superatom complexes.

Walter M, Akola J, Lopez-Acevedo O, Jadzinsky PD, Calero G, Ackerson CJ, Whetten RL, Grönbeck H, Häkkinen H.

Proc Natl Acad Sci U S A. 2008 Jul 8;105(27):9157-62. doi: 10.1073/pnas.0801001105. Epub 2008 Jul 1.

36.

Binary alloys of Ge and Te: order, voids, and the eutectic composition.

Akola J, Jones RO.

Phys Rev Lett. 2008 May 23;100(20):205502. Epub 2008 May 23.

PMID:
18518553
37.

On the structure of thiolate-protected Au25.

Akola J, Walter M, Whetten RL, Häkkinen H, Grönbeck H.

J Am Chem Soc. 2008 Mar 26;130(12):3756-7. doi: 10.1021/ja800594p. Epub 2008 Mar 6.

PMID:
18321117
38.

Density functional calculations of ATP systems. 2. ATP hydrolysis at the active site of actin.

Akola J, Jones RO.

J Phys Chem B. 2006 Apr 20;110(15):8121-9.

PMID:
16610915
39.

Density functional calculations of ATP systems. 1. Crystalline ATP hydrates and related molecules.

Akola J, Jones RO.

J Phys Chem B. 2006 Apr 20;110(15):8110-20.

PMID:
16610914
40.

Electronic properties of single-walled carbon nanotubes inside cyclic supermolecules.

Akola J, Rytkönen K, Manninen M.

J Phys Chem B. 2006 Mar 23;110(11):5186-90.

PMID:
16539446
41.

Thermal expansion in small metal clusters and its impact on the electric polarizability

Kummel S, Akola J, Manninen M.

Phys Rev Lett. 2000 Apr 24;84(17):3827-30.

PMID:
11019216

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