In reverse chronological order:


(169) Y. Negishi, T. Nakazaki, S. Malola, S. Takano, Y. Niihori, W. Kurashige, S. Yamazoe, T. Tsukuda and H. Häkkinen, "Critical size region for transition of geometrical and electronic structures of thiolate-protected gold clusters", submitted.


(168) K. Salorinne, T. Lahtinen, V. Marjomäki and H. Häkkinen, "Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution", CrystEngComm. (2014).


(167) W.S. Compel, O.A. Wong, X. Chen, C. Yi, H. Häkkinen, K. Knappenberger and C. Ackerson, "Dynamic diglyme-mediated self-assembly of gold nanoparticles", submitted.


(166) S. Malola, L. Lehtovaara and H. Häkkinen, "A TDDFT Analysis of Optical Properties of Thiol Monolayer-Protected Gold and Intermetallic Silver-Gold Au144(SR)60 and Au84Ag60(SR)60 Clusters", J. Phys. Chem. ASAP 2014.


(165) S. Knoppe, L. Lehtovaara and H. Häkkinen, "Electronic Structure and Optical Properties of the Intrinsically Chiral 16-Electron Superatom Complex (Au20(PP3)4)4+", J. Phys. Chem. A (2014).


(164) K. Salorinne, T. Lahtinen, S. Malola, J. Koivisto and H. Häkkinen, "Solvation chemistry of water-soluble thiol-protected gold nanoclusters Au102 and Au144 from DOSY NMR spectroscopy and DFT calculations", Nanoscale (2014), doi: 10.1039/C4NR01255K


(163) E. Heikkilä, H. Martinez-Seara, A.A. Gurtovenko, M. Javanainen, H. Häkkinen, I. Vattulainen and J. Akola, "Cationic Au nanoparticle binding with plasma membrane-like lipid bilayers: Potential mechanism for spontaneous permeation to cells revealed by atomistic simulatios", J. Phys. Chem. C (2014).


(162) H. Yang, Y. Wang, J. Yan, X. Chen, X. Zhang, H. Häkkinen and N. Zheng, "Structural evolution of atomically precise thiolated bimetallic (Au12+nCu32(SR)30+n)(4-) (n=0,2,4,6) clusters", J. Am. Chem. Soc. (2014), link: http://pubs.acs.org/doi/pdf/10.1021/ja501811j


(161) S. Malola, L. Lehtovaara and H. Häkkinen, "Linear gold-thiolate superclusters for absorption in the therapeutic NIR window", J. Phys. Chem. Lett. (2014; http://pubs.acs.org/doi/abs/10.1021/jz500449k .


(160) M. Azubel, J. Koivisto, S. Malola, D. Bushnell, G.L. Hura, A.L. Koh, H. Tsunoyama, T. Tsukuda, M. Pettersson, H. Häkkinen and R.D. Kornberg, "Electron microscopy of gold nanoparticles at atomic resolution", Science 345, 909 (2014). Highlighted by Chemistry World: "A new gold standard for nano"


(159) L. Gell, L. Lehtovaara and H. Häkkinen, "Superatomic S2 Silver Clusters Stabilized by Thiolate – Phosphine Monolayer: Insight into Electronic and Optical Properties of Ag14(SC6H3F2)12(PPh3)8 and Ag16(SC6H3F2)14(DPPE)4", J. Phys. Chem. A (2014), http://pubs.acs.org/doi/abs/10.1021/jp501185q


(158) S. Knoppe, O.A. Wong, S. Malola, H. Häkkinen, T. Buergi, T. Verbiest and C.J. Ackerson, "Chiral phase transfer and enantioenrichment of thiolate-protected Au102 clusters", J. Am. Chem. Soc. (2014), http://pubs.acs.org/doi/abs/10.1021/ja500809p.


(157) J. Koivisto, K. Salorinne, S. Mustalahti, T. Lahtinen, S. Malola, H. Häkkinen, M. Pettersson "Vibrational perturbations and ligand-layer coupling in a single crystal of Au144(SC2H4Ph)60", J. Phys. Chem. Lett. 5, 387 (2014).


(156) D. Crasto, S. Malola, G. Brosofsky, A. Dass and H. Häkkinen,"Single crystal XRD structure and theoretical analysis of the chiral Au30S(StBU)18 cluster", J. Am. Chem. Soc. (2014), http://pubs.acs.org/doi/abs/10.1021/ja412141j


(155) J. Hassinen, P. Pulkkinen, E. Kalenius, T. Pradeep, H. Tenhu, H. Häkkinen, R.H.A. Ras "Au25 clusters with calix[4]arene functionalities", J. Phys. Chem. Lett. 5, 585-589 (2014).


(154) S. Mustalahti, P. Myllyperkiö, T. Lahtinen, K. Salorinne, S. Malola, J. Koivisto, H. Häkkinen, M. Pettersson "Ultrafast Electronic Relaxation and Vibrational Cooling Dynamics of Au144(SC2H4Ph)60 Nanocluster Probed by Transient Mid-IR Spectroscopy", J. Phys. Chem. C (2014), DOI: 10.1021/jp505464z.


(153) S. Malola, L. Lehtovaara, J. Enkovaara, H. Häkkinen, "Birth of the localized surface plasmon resonance in monolayer-protected gold nanoclusters", ACS Nano 7, 10263 (2013).


(152) I. Chakraborty, W. Kurashige, K. Kanehira, L. Gell, H. Häkkinen, Y. Negishi, T. Pradeep, "Ag44(SeR)30: A highly stable selenolate protected silver cluster", J. Phys. Chem. Lett. 4, 3351 (2013).


(151) C.G. Rocha, P.A. Clayborne, P. Koskinen and H. Häkkinen, "Optical and electronic properties of graphene nanoribbons upon adsorption of ligand-protected aluminum clusters", Phys. Chem. Chem. Phys, (2014); DOI: 10.1039/C3CP53780C.


(150) S. Knoppe, S. Malola, L. Lehtovaara, T. Buergi and H. Häkkinen, "Electronic structure and optical properties of the thiolate-protected Au28(SMe)20 cluster", J. Phys. Chem. A 117, 10526 (2013).


(149) H.Yang, Y. Wang, H. Huang, L. Gell, L. Lehtovaara, S. Malola, H. Häkkinen and N. Zheng, "All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures", Nature Communications 4, 2422 (2013). Highlighted by the Academy of Finland and Nature News.


(148) J. Q. Goh, S. Malola, H. Häkkinen and J. Akola, "The role of central gold atom in ligand-protected bi-icosahedral Au24 and Au25 clusters", J. Phys. Chem. C (2013) DOI: 10.1021/jp406819f.


(147) C. Stiehler, Y. Pan, W.-D. Schneider, P. Koskinen, H. Häkkinen, N. Nilius and H.-J. Freund, "Electron quantization in arbitrarily shaped gold islands on MgO thin films", Phys. Rev. B. 88, 115415 (2013).


(146) V. Marjomäki, T. Lahtinen, M. Martikainen, J. Koivisto, S. Malola, K. Salorinne, M. Pettersson and H. Häkkinen, "Site-specific targeting of enterovirus capsid by functionalized monodisperse gold nanoclusters", Proc. Natl. Acad. Sci. USA, Jan 13, 2014, media coverage by the Academy of Finland and Medical News.


(145) X. Chen and H. Häkkinen, "Protected but accessible: Oxygen activation by a calixarene-stabilized undecagold cluster", J. Am. Chem. Soc. 135, 12944-12947 (2013).


(144) A. Mathew, G. Natarajan, L. Lehtovaara, H. Häkkinen, R.M. Kumar, V. Subramanian, A. Jaleel and T. Pradeep, "Supramolecular functionalization and concomitant enhancement in properties of Au25 clusters", ACS Nano 8, 139-152 (2014).


(143) H. Yang, Y. Wang, J. Lei, L. Shi, X, Wu, V. Mäkinen, S. Lin, Z. Tang, J. He, H. Häkkinen, L. Zheng and N. Zheng, "Ligand-stabilized Au13Cux (x=2,4,8) bimetallic nanoclusters: Ligand-engineering to control the exposure of metal sites", J. Am. Chem. Soc. 135, 9568 (2013).


(142) X. Chen, L. Lehtovaara and H. Häkkinen, "Structure and optical properties of glutathione-protected Au25 cluster", in preparation.


(141) K. Helttunen, L. Lehtovaara, H. Häkkinen and M. Nissinen, "Crystal structures and density functional theory calculations of o- and p-nitroaniline ligands: combined effect of hydrogen bonding and aromatic interactions on dimerization energy", Crystal Growth and Design 13, 3603 (2013).


(140) V. Mäkinen, P. Koskinen and H. Häkkinen, "Modelling thiolate-protected gold clusters with density-functional tight-binding", Eur. Phys. J. D 67, 38 (2013).


(139) K. Salorinne, T. Lahtinen, J. Koivisto, E. Kalenius, M. Nissinen, M. Pettersson, H. Häkkinen , "Non-destructive size determination of thiol-stabilized gold nanoclusters in solution by DOSY NMR spectrosocopy", Anal. Chem. (2013) link: http://pubs.acs.org/doi/abs/10.1021/ac303665b


(138) S. Malola, L. Lehtovaara, S. Knoppe, K.-J. Hu, R. Palmer, T. Burgi and H. Häkkinen, "Au40(SR)24 Cluster as a Chiral Dimer of 8-Electron Superatoms: Structure and Optical Properties", J. Am. Chem. Soc. 134, 19560 (2012).


(137) E. Guidez, V. Mäkinen, H. Häkkinen and C.M. Aikens, "Effects of Silver Doping on the Geometric and Electronic Structure and Optical Absorption Spectra of the Au_(25-n)Ag_n(SH)_18- (n = 1, 2, 4, 6, 8, 10, 12) Bimetallic Nanoclusters", J. Phys. Chem C. 116, 20617 (2012).


(136) J. Andersin, J. Nevalaita, K. Honkala and H. Häkkinen, "The redox chemistry of gold with high-valence doped

CaO", Angew. Chemie Int. Ed. 52, 1424 (2013).


(135) V. Mäkinen and H. Häkkinen, "Density funtional molecular dynamics study of the Au25(SR)18- cluster", Eur. Phys. J D 66, 310 (2012).


(134) H. Häkkinen, "Theoretical Studies of Gold Nanoclusters in Various Chemical Environments: When the Size Matters", Chapter 9 in "Gold Nanoparticles for Physics, Biology and Chemistry", edited by C. Louis and O. Pluchery (Imperial College Press 2012).


(133) X. Chen and H. Häkkinen, "Divide and protect: Passivating Cu(111) by Cu-(benzotriazolate)2", J. Phys. Chem. C. 116, 22345 (2012).


(132) J. Koivisto, S. Malola, A. Dass, H. Häkkinen and M. Pettersson, "Experimental and theoretical determination of the optical gap of the Au144(SCH2Ph)60 cluster and the (AuAg)144(SCH2Ph)60 nanoalloys", J. Phys. Chem. Lett. 3, 3076 (2012).


(131) H. Häkkinen, "Ligand-protected Gold Nanoclusters as Superatoms - Insights from Theory and Computations", Chapter 3 in "Metal Nanoparticles and Nanoalloys", edited by R.L. Johnston and J. Wilcoxon (Frontiers of Nanoscience, Elsevier 2012).


(130) C.L. Heinecke, T.W. Ni, S. Malola, V. Mäkinen, O.A. Wong, H. Häkkinen and C.J. Ackerson, "Structural and theoretical basis for ligand exchange on thiolate monolayer protected gold clusters", J. Am. Chem. Soc. 134, 13316 (2012).


(129) K. Salorinne, X. Chen, R.W. Troff, M. Nissinen and H. Häkkinen, "One-pot synthesis and characterization of subnanometer-size benzotriazolate protected copper clusters", Nanoscale 4, 4095 (2012)..


(128) X. Chen, M. Strange and H. Häkkinen, "Non-magnetic and magnetic thiolate-protected Au25 superatoms on Cu(111), Ag(111) and Au(111) surfaces", Phys. Rev. B 85, 085422 (2012).


(127) H. Häkkinen, "The gold-sulfur interface at the nanoscale" (Review), Nature Chemistry 4, 443 (2012).


(126) L. Nykänen, H. Häkkinen and K. Honkala, "Computational study of linear carbon chains on gold and silver surfaces", Carbon 50, 2752 (2012).


(125) E. Heikkilä, A.G. Gurtovenko, H. Martinez-Seara, H. Häkkinen, I. Vattulainen and J. Akola, "Atomistic Simulations of Functional Au144(SR)60 Gold Nanoparticles in Aqueous Environment", J. Phys. Chem. C 116, 9805 (2012).


(124) P.A. Clayborne and H. Häkkinen, "The Electronic Structure of Ge9[Si(SiMe3)3]3-, A Superantiatom Complex", Phys. Chem. Chem. Phys. 14, 9311 (2012).


(123) S. Malola and H. Häkkinen, "Electronic structure and bonding of icosahedral core-shell gold-silver nanoalloy clusters Au_(144-x)Ag_x(SR)_60", J. Phys. Chem. Lett. 2, 2316 - 2321 (2011).


(122) P.A. Clayborne, O. Lopez-Acevedo, R.L. Whetten, H. Grönbeck and H. Häkkinen, "Evidence of superatomic electronic shells in ligand-stabilized aluminum clusters", J. Chem. Phys. 135, 094701 (2011).


(121) O. Lopez-Acevedo, P.A. Clayborne and H. Häkkinen, "Electronic structure of Gold, Aluminum and Gallium superatom complexes", Phys. Rev. B 84, 035434 (2011).


(120) K. Salorinne, O. Lopez-Acevedo, E. Nauha, H. Häkkinen and M. Nissinen, "Solvent Driven Formation of Silver Embedded Resorcinarene Nanorods with Intracrystalline Enantiomeric Separation", CrystEngComm 14, 347 - 350 (2012).


(119) V. Mäkinen, K. Honkala and H. Häkkinen, "Atomic layer deposition of aluminum oxide on TiO2 and its impact on N3 dye adsorption from first principles", J. Phys. Chem. C 115, 9250 (2011).


(118) L.J. Antila, M.J. Heikkilä, V. Mäkinen, N. Humalamäki, M. Laitinen, V. Linko, P. Jalkanen, J. Toppari, V. Aumanen, M. Kemell, P. Myllyperkiö, K. Honkala, H. Häkkinen, M. Leskelä and J.E.I. Korppi-Tommola, "ALD grown aluminum oxide submonolayers in dye-sensitized solar cells: The effect on interfacial electron transfer and performance", J. Phys. Chem. C, 115, 16720 - 16729 (2011).


(117) M. Walter, M. Moseler, R.L. Whetten and H. Häkkinen, "A 58-electron superatom-complex model for the magic phosphine-protected gold clusters (Schmid-gold, Nanogold) of 1.4-nm dimension", Chemical Science, 2, 1583 (2011).


(116) E. Hulkko, O. Lopez-Acevedo, J. Koivisto, Y. Levi-Kalisman, R.D. Kornberg, M. Pettersson and H. Häkkinen, "Electronic and vibrational signatures of the Au102(pMBA)44 cluster", J. Am. Chem. Soc. 133, 3752 (2011).



(115) H. Häkkinen and R.L. Whetten, "Protected metallic clusters, quantum wells and metal-nanocrystal molecules", J. Phys. Chem. C 114, 15877 (2010).



(114) O. Lopez-Acevedo and H. Häkkinen, "Derivatives of the thiolate-protected gold cluster Au25(SR)18(-1)", Eur. Phys. J D 63, 311-314 (2011).



(113) M. Strange, C. Rostgaard, H. Häkkinen and K.S. Thygesen, "First-principles many-body calculations of electronic conduction in thiol- and amine-linked molecules", Phys. Rev. B 83, 115108 (2011). (Editor's Suggestion)

 

(112) P.A. Clayborne, O. Lopez-Acevedo, R.L. Whetten, H. Grönbeck and H. Häkkinen, “Al50Cp*12 Cluster: A 138-electron (L=6) Superatom”, Eur. J. Inorg. Chem. 17, 2649 (2011).

 

(111)  P. Frondelius, H. Häkkinen, K. Honkala, "Ambient formation of gold(I) edge-oxide at flat gold nanoclusters on an ultra-thin MgO film", Angew. Chemie Int. Ed. 49, 7913 (2010). 

 

(110) K.A. Kacprzak, O. Lopez-Acevedo, H. Häkkinen and H. Grönbeck, "Theoretical characterization of cyclic thiolated copper, silver and gold clusters", J. Phys. Chem. C. 114, 13571 (2010).

 

(109)  O. Lopez-Acevedo, H. Tsunoyama, T. Tsukuda, H. Häkkinen and C.M. Aikens, "Chirality and electronic structure of the thiolate-protected Au38 nanocluster", J. Am. Chem. Soc. 132, 8210 (2010).

 

(108) J. Enkovaara et al., Electronic structure calculations using GPAW:

A real-space implementation of the projector-augmented wave method", J. Phys. Condensed Matter 22, 253202 (2010).

 

(107) S. Malola, H. Häkkinen and P. Koskinen, "Structural, chemical and dynamical trends in grain boundaries of graphene", Phys. Rev. B 81, 165447 (2010). Editor's Suggestion !

 

(106) J. Akola, K.A. Kacprzak, O. Lopez-Acevedo, M. Walter, H. Grönbeck and H. Häkkinen, "Materials from thiolate-protected Au25 superatoms: Dimers and crystals", J. Phys. Chem C 114, 15986 (2010).

 

(105) J.F. Parker, K.A. Kacprzak, O. Lopez-Acevedo, H. Häkkinen, R.W. Murray, "An experimental and density-functional theory analysis of serial introductions of electron-withdrawing ligands into the ligand shell of a thiolate-protected Au25 nanoparticle", J. Phys. Chem. C 18, 8276 (2010).

 

(104) M. Strange, O. Lopez-Acevedo, H. Häkkinen, "Oligomeric gold-thiolate units define the properties of the molecular junction between gold and benzene dithiols", J. Phys. Chem. Letters 1, 1528 (2010).

 

(103)  X. Lin, N. Nilius, M. Sterrer, P. Koskinen, H. Häkkinen, H-J. Freund, "Characterizing low-coordinated atoms at the periphery of MgO-supported Au islands", Phys. Rev. B 81, 153406 (2010).

 

(102) O. Lopez-Acevedo, K.A.Kacprzak, J. Akola and H. Häkkinen, "Quantum size effects in ambient CO oxidation catalyzed by ligand-protected gold clusters", Nature Chemistry 2, 329 (2010).

 

(101) P. Frondelius, H. Häkkinen and K. Honkala, "Adsorption and activation of O2 at Au chains on MgO/Mo thin films", PCCP  12, 1483 - 1492 (2010).

 

(100) O. Lopez-Acevedo, J. Rintala, S. Virtanen, C. Femoni, C. Tiozzo, H. Grönbeck, M. Pettersson and H. Häkkinen, "Characterization of Iron-carbonyl-protected Gold Clusters", J. Am. Chem. Soc. 131, 12573 (2009).

 

(99) P. Koskinen, S. Malola and H. Häkkinen, "Evidence for Graphene Edges Beyond Zigzag and Armchair", Phys. Rev. B. 80, 073401 (2009)

 

(98) K. Kacprzak, L. Lehtovaara, J. Akola, O. Lopez-Acevedo and H. Häkkinen, "A density functional investigation of thiolate-protected bimetal PdAu24(SR)18(z) clusters: Doping the superatom complex",  PCCP 2009 (DOI: 10.1039/b904491d)

 

(97) S. Malola, H. Häkkinen and P. Koskinen, "Gold in graphene: in-plane adsorption and diffusion", Appl. Phys. Lett. 94, 043106 (2009) ( link )

 

(96) K. Kacprzak, J. Akola and H. Häkkinen, "First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters",  PCCP 2009 (DOI: 10.1039/b822765a).

 

(95) X. Lin, N. Nilius, H.-J. Freund, M. Walter, P. Frondelius, K. Honkala, H. Häkkinen, "Quantum well states in two-dimensional gold clusters on MgO thin films", Phys. Rev. Lett. 102, 206801 ( preprint ). 

 

(94) O. Lopez-Acevedo, J. Akola, R.L. Whetten, H. Grönbeck, H. Häkkinen, "Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60", J. Phys. Chem. C (Letter) 113, 5035 (2009) ( link ). 

 

(93) S. Malola, H. Häkkinen, P. Koskinen, "Comparison of Raman spectra and vibrational density of states between graphene nanoribbons with different edges", Eur. Phys. J. D 52, 71 (2009)( preprint ). 

 

(92) D. Koudela, A.-M. Uimonen and H. Häkkinen, "Conductance through analytic constrictions", Eur. Phys. J. B 68, 111 (2009) ( preprint ). 

 

(91) H. Grönbeck, H. Häkkinen and R.L. Whetten, "Gold-thiolate complexes form a unique c(4x2) structure on Au(111)", J. Phys. Chem. C 112, 15940 (2008). ( link ). 

 

(90) S. Malola, H. Häkkinen and P. Koskinen, "Effects of Bending on Raman-active Vibration Modes of Carbon Nanotubes", Phys. Rev. B 78, 153409 (2008). ( link ). 

 

(89) O. Lopez-Acevedo, D. Koudela, H. Häkkinen, "Conductance through atomic point contacts between fcc(100) electrodes of gold", Eur. Phys. J. B 66, 497 (2008). 

 

(88) P. Frondelius, A. Hellman, K. Honkala, H. Häkkinen and H. Grönbeck, "Charging of atoms, clusters and molecules on metal supported oxides: a general and long-ranged phenomenon", Phys. Rev. B 78, 085426 (2008), ( link

 

(87) H. Häkkinen, "Atomic and electronic structure of gold clusters: understanding flakes, cages and superatoms from simple concepts", Chem. Soc. Rev. 37, 1847 (2008). ( link

 

(86) M. Walter, H. Häkkinen, L. Lehtovaara, M. Puska, J. Enkovaara, C. Rostgaard and J.J. Mortensen, "Time-dependent density-functional theory in the projector augmented-wave method", J. Chem. Phys. 128, 244101 (2008) ( link ). 

 

(85) P. Koskinen, S. Malola and H. Häkkinen, "Self-passivating reconstructions of graphene edges", Phys. Rev. Lett. 101, 115502 (2008), ( link ). 

 

(84) J. Akola, M. Walter, R.L. Whetten, H. Häkkinen and H. Grönbeck, "On the structure of thiolate-protected Au25", J. Am. Chem. Soc. 130, 3756-3757 (2008). ( link to JACS ). 

 

(83) M. Walter, J. Akola, O. Lopez-Acevedo, P. D. Jadzinsky, G. Calero, C. J. Ackerson, R. L. Whetten, H. Grönbeck, H. Häkkinen, "A unified view of ligand-protected gold clusters as superatom complexes ", PNAS 105, 9157 (2008) ( link ). 

See also: "Gilding the superatom model", Editor's Choice, Science 18 July 2008 ( link

News item at Georgia Tech website: 

"Divide and Protect: Study Reveals Principles Behind Stability and Electronic Properties of Gold Nanoclusters" ( link

News item in "Science News" -program of the Finnish Broadcasting Company (YLE), sorry, in Finnish only: ( link

News item at CSC website: ( link

 

(82) S. Malola, H. Häkkinen and P. Koskinen, "Raman intensity of single-walled carbon nanotubes with vacancies", Phys. Rev. B 77, 155412 (2008), ( link ). 

 

(81) P. Frondelius, H. Häkkinen, K. Honkala, "Adsorption of small Au clusters on MgO and MgO/Mo: the role of oxygen vacancies and the Mo-support", New Journal of Physics, 9, 339 (2007). ( link

 

(80) M. Walter, H. Häkkinen, J. Stanzel, M. Neeb and W. Eberhardt, "Symmetry induced long-lived excited state in Au$_6^-$", Phys. Rev. B 76, 155422 (2007), ( link ). 

 

(79) M. Walter, P. Frondelius, K. Honkala, H. Häkkinen, "Electronic structure of MgO-supported Au clusters: Quantum dots probed by STM", Phys. Rev. Lett. 99, 096102 (2007) ( link ). 

 

(78) P. Frondelius, H. Häkkinen, K. Honkala, "Adsorption of gold clusters on metal-supported MgO: Correlation to electron affinity of gold", Phys. Rev. B 76, 073406 (2007)( DOI ). 

 

(77) H. Grönbeck and H. Häkkinen, "Polymerization at the Alkylthiolate-Au(111) Interface", J. Phys. Chem B 111, 3325 (2007). ( DOI link

 

(76) K. Honkala and H. Hakkinen, "Au adsorption on regular and defected thin MgO(100) films supported by Mo", J. Phys. Chem. C 2007, see ( DOI link

 

(75) S. Tuukkanen, A. Kuzyk, V.P. Hytönen, H. Häkkinen, J.J. Toppari, E. Niskanen, M. Rinkiö and P. Törmä, "Trapping of 27 bp - 8kbp DNA and immobilization of thiol-modified DNA using dielectrophoresis", Nanotechnology 18, 295204 (2007), ( link ) . 

 

(74) M. Walter and H. Hakkinen, "A hollow tetrahedral cage of hexadecagold dianion provides a robust backbone for a sub-nanometer oxidation and reduction agent via endohedral doping", Phys. Chem. Chem. Phys. 8, 5407 (2006), ( DOI

 

(73) P. Koskinen, H. Hakkinen, B. Huber, B.v. Issendorff, and M. Moseler, "Liquid-liquid phase coexistence in gold clusters: 2D or not 2D?", Phys. Rev. Lett. 98, 015701 (2007). ( link to PRL

 

(72) M. Walter and H. Hakkinen, "Photoelectron spectra from first principles: From many-body to single-particle picture", New J. Phys. 10, 043018 (2008), ( link ). 

 

(71) B. Yoon, P. Koskinen, B. Huber, O. Kostko, B.v.Issendorff, H. Häkkinen, M. Moseler and U. Landman, "Size-dependent Structural Evolution and Chemical Reactivity of Gold Clusters", ChemPhysChem. 8, 157 (2007). ( link to publisher's page

 

(70) J. Akola and H. Häkkinen, "Ab initio study of the adsorption of gold atoms and clusters on graphite (0001) with defects", Phys. Rev. B 74, 15 October (2006) ( DOI

 

(69) H. Grönbeck, M. Walter and H. Häkkinen, "Theoretical Characterization of Cyclic Thiolated Gold Clusters", J. Am. Chem. Soc. 128, 10269 (2006). ( DOI

 

(68) H. Häkkinen, M. Walter and H. Grönbeck, "Divide and Protect: Capping Gold Nanoclusters with Molecular Gold-Thiolate rings", J. Phys. Chem. B 110, 9927-9931 (2006). ( DOI

 

(67) P. Koskinen, H. Häkkinen, G. Seifert, S. Sanna, Th. Frauenheim, and M. Moseler,"Density-functional based tight-binding study of small gold clusters", New Journal of Physics 8, 9 (2006). 

 

(66) B. Huber, P. Koskinen, H. Häkkinen, and M. Moseler, "Oxidation of Pd-clusters leads to the ultimate limit of epitaxy with a catalytic function", Nature Materials 5, 44-47 (2006). 

 

(65) H. Häkkinen and M. Walter, "Computational Spectroscopy of Supported Cluster nanocatalysts", Lecture Series on Computer and Computational Sciences, Vol. 4, pp. 990-993 (2005). (pdf). 

 

(64) M. Walter and H. Häkkinen, "Optical absorption of magnesia-supported gold clusters and nanoscale catalysts: Effects due to the support, clusters, and adsorbants", Phys. Rev. B 72, 205440 (2005). (preprint). 

 

(63) K. Manninen, T. Santa-Nokki, H. Häkkinen, and M. Manninen, "Magic clusters Na57- and Na59+ ", Eur. Phys. J D 34, 43-45 (2005). 

 

(62) B. Huber, H. Häkkinen, U. Landman and M. Moseler, "Oxidation of small gas phase Pd clusters: A density functional study", Comput. Mater. Sci. 35, 371-374 (2006). 

 

(61) H. Häkkinen and M. Moseler, "55-atom clusters of silver and gold: Symmetry breaking by relativistic effects", Comput. Mater. Sci. 35, 332-336 (2006). 

 

(60) K. Manninen, H. Häkkinen, and M. Manninen, "Ab initio simulation of Na59+ and Na93+", Comput. Mater. Sci. 35, 158-162 (2006). 

 

(59) M. Walter and H. Häkkinen, "Photoionization using Kohn-Sham wave functions", Eur. Phys. J D 33, 393-398 (2005). (link to publisher's site

 

(58) K. Manninen, P. Pyykkö and H. Häkkinen, "A small spherical liquid: DFT molecular dynamics study of WAu12", Phys. Chem. Chem. Phys. 7, 2208 - 2211 (2005). 

 

(57) T. Santa-Nokki and H. Häkkinen, "Anomalous binding sequence of CO ligands to an anionic triplatinum carbonyl complex", Chem. Phys. Lett. 406, 44 (2005) (pdf). 

 

(56) B. Yoon, H. Häkkinen, U. Landman, A. Wörz, J.-M. Antonietti, S. Abbet, K. Judai, U. Heiz, "Charging Effects on Bonding and Catalyzed Oxidation of CO on Au8 clusters on MgO", Science 307, 403 (2005). (link

 

(55) R. N. Barnett, H. Häkkinen, A. G. Scherbakov and U. Landman, "Hydrogen Welding and Hydrogen Switches in a Mono-Atomic Gold Nanowire", Nano Lett. 4, 1845 (2004). (pdf

 

(54) H. Häkkinen, M. Moseler, O. Kostko, N. Morgner, M.A. Hoffmann, and B.v.Issendorff, "Symmetry and Electronic Structure of Noble- Metal Nanoparticles and the Role of Relativity", Phys. Rev. Lett. 93, 093401 (2004). (pdf

 

(53) K. Manninen, H. Häkkinen, and M. Manninen, "Electronic structure and thermal behavior of a magic Na59+ cluster", Phys. Rev. A 70, 023203 (2004). (pdf

 

(52) M. Moseler, B. Huber, H. Häkkinen, U. Landman, G. Wrigge, M.A. Hoffmann, and B. v. Issendorff, "Thermal effects in the photoelectron spectra of NaN- clusters (N=4-19)", Phys. Rev. B. 68, 165413 (2003). (pdf

 

(51) H. Häkkinen, B. Yoon, U. Landman, X. Li, H.-J. Zhai, and L.-S. Wang:" On the Electronic and Atomic Structures of Small AuN- (N = 4-14) Clusters: A Photoelectron Spectroscopy and Density-functional Study", J. Phys. Chem. A. 107, 6168 - 6175 (2003). (pdf

 

(50) L. D. Socaciu, J. Hagen, T. M. Bernhardt, L. Wöste, U. Heiz, H. Häkkinen and U. Landman, "Catalytic CO oxidation by free Au2-: Experiment and theory", J. Am. Chem. Soc. 125, 10437 - 10445 (2003). (pdf

 

(49) B. Yoon, H. Häkkinen, and U. Landman, "Interaction of O2 with gold clusters: molecular and dissociative adsorption", J. Phys. Chem. A 107, 4066 (2003). (pdf

 

(48) H. Häkkinen, S. Abbet, A. Sanchez, U. Heiz and U. Landman, "Structural, electronic, and impurity-doping effects in nanoscale chemistry: Supported gold nanoclusters", Angew. Chem. Int. Ed. 42, 1297 - 1300 (2003). (pdf) (supplement

 

(47) M. Moseler, H. Häkkinen and U. Landman, "Supported magnetic nanoclusters: Softlanding of Pd clusters on a MgO(100) surface", Phys. Rev. Lett. 89, 176103 (2002). (pdf

 

(46) S. Abbet, A.M. Ferrari, L. Giordano, G. Pacchioni, H. Häkkinen, U. Landman, and U.Heiz, "Pd1/MgO(100): A model system in Nanocatalysis", Surf. Sci. 514, 249-255 (2002). (pdf

 

(45) H. Häkkinen, M. Moseler and U. Landman, "Bonding in Cu, Ag, and Au clusters: Relativistic effects, trends, and surprises", Phys. Rev. Lett. 89, 033401 (2002). (pdf

 

(44) H. Häkkinen and U. Landman, "Gas-phase catalytic oxidation of CO by Au2-", J. Am. Chem. Soc. 123, 9704-9705 (2001). (pdf

 

(43) M. Moseler, H. Häkkinen and U. Landman, "Photoabsorption Spectra of Nan+ clusters: Thermal Line-Broadening Mechanisms", Phys. Rev. Lett. 87, 053401 (2001). (pdf

 

(42) S. Abbet, U. Heiz, H. Häkkinen and U. Landman, "CO oxidation on a single Pd atom supported on magnesia", Phys. Rev. Lett. 86, 5950-5953 (2001). (pdf

 

(41) M. Moseler, H. Häkkinen, R.N. Barnett and U. Landman, "Structure and Magnetism of Neutral and Anionic Pd Clusters", Phys. Rev. Lett. 86, 2545-2548 (2001). (pdf

 

(40) J. Akola, M. Manninen, H. Häkkinen, U. Landman, X. Li, and L.-S. Wang, "Aluminum Cluster Anions: Photoelectron Spectroscopy and Ab-initio Simulations", Phys. Rev. B 62, 13216-13228 (2000). (pdf

 

(39) H. Häkkinen and U. Landman, "Gold clusters (AuN, 2=N=10) and their anions", Phys. Rev. B 62, R2287-2290 (2000). (pdf

 

(38) H. Häkkinen, R. N. Barnett, A. G. Scherbakov and U. Landman, "Nanowire Gold Chains: Formation Mechanisms and Conductance", J. Phys. Chem B 104, 9063-9066 (2000). (pdf

 

(37) E. Viitala, H. Häkkinen, M. Manninen and J. Timonen, "Spin Hamiltonians for small Ni clusters", Phys. Rev. B 61, 8851 (2000). (pdf

 

(36) R. N. Barnett, C. L. Cleveland, H. Häkkinen, W. D. Luedtke, C. Yannouleas and U. Landman, "Structures and spectra of gold nanoclusters and quantum dots", Europ. Phys. J D 9, 95-104 (1999). (pdf

 

(35) A. Rytkönen, H. Häkkinen and M. Manninen, "Melting and multipole deformation of sodium clusters", Europ. Phys. J D 9, 451-454 (1999). (pdf

 

(34) J. Akola, H. Häkkinen and M. Manninen, "Ionization potential of Al$_6$ and Al$_7$ as a function of temperature", Europ. Phys. J D 9, 179-182 (1999). (pdf

 

(33) A. Sanchez, S. Abbet, U. Heiz, W.-D. Schneider, H. Häkkinen, R. N. Barnett, and U. Landman, "When Gold is not Noble: Nanoscale Gold Catalysts", J. Phys. Chem. A 103, 9573 (1999). (pdf

 

(32) H. Häkkinen, R. N. Barnett, and U. Landman, "Gold Nanowires and their Chemical Modifications", J. Phys. Chem. B 103, 8814-8816 (1999). (pdf

 

(31) J. Akola, M. Manninen, H. Häkkinen, U. Landman, X. Li, and L.-S. Wang, "Photoelectron Spectra of Aluminum Cluster Anions: Temperature Effects and Ab-Initio Simulations", Phys. Rev. B 60, R11297-11300 (1999). (pdf

 

(30) J. Akola, A. Rytkönen, H. Häkkinen and M. Manninen, "Temperature-dependent ionization potential of sodium clusters", Europ. Phys. J D 8, 93-99 (2000). (pdf

 

(29) H. Häkkinen, R. N. Barnett and U. Landman, "Electronic structure of passivated Au38(SCH3)24 nanocrystal", Phys. Rev. Lett. 82, 3264-3267 (1999). (pdf

 

(28) A. Landa, H. Häkkinen, R. N. Barnett, P. Wynblatt, and U. Landman, "Disordering of the Pb(110) surface", Comp. Mater. Sci 11, 245-251 (1998). 

 

(27) H. Häkkinen and M. Manninen, "Force fluctuations and localized states at point contacts", Europhys. Lett. 44, 80-84 (1998). (pdf

 

(26) J. Akola, H. Häkkinen and M. Manninen, "Ionization potential of Al clusters", Phys. Rev. B 58, 3601-3604 (1998). (pdf

 

(25) A. Rytkönen, H. Häkkinen and M. Manninen, "Melting and octupole deformation of Na40, Phys. Rev. Lett. 80, 3940-3943 (1998). (pdf

 

(24) P. Heino, H. Häkkinen and K. Kaski, "Molecular dynamics study of copper with defects under strain", Phys. Rev. B 58, 641-652 (1998). (pdf

 

(23) P. Heino, H. Häkkinen and K. Kaski, "Molecular dynamics study of mechanical properties of copper", Europhys. Lett. 41, 273 (1998). (pdf

 

(22) S. M. Reimann, M. Koskinen, H. Häkkinen, P. E. Lindelof and M. Manninen, ``Magic triangular and tetrahedral clusters'', Phys. Rev. B 56, 12147 (1997). (pdf

 

(21) J. Kolehmainen, M. Koskinen, H. Häkkinen and M. Manninen, ``Linear nuclei: A density-functional interpretation'', Int. J. Mod. Phys. E 6, 507-513 (1997). 

 

(20) H. Häkkinen, J. Kolehmainen, M. Koskinen, P. O. Lipas and M. Manninen, "Universal shapes of small fermion clusters", Phys. Rev. Lett. 78, 1034-1037 (1997). (pdf

 

(19) J. Kolehmainen, H. Häkkinen and M. Manninen, "Metal clusters on an inert surface: A simple model", Z. Phys. D 40, 306-309 (1997). (pdf

 

(18) H. Häkkinen and M. Manninen, ``An ab initio study of cluster - surface interaction: Na clusters on the NaCl(001) surface'', J. Chem. Phys. 105, 10565-10571 (1996). (pdf

 

(17) H. Häkkinen and M. Manninen, ``How ``magic'' is a magic metal cluster?'', Phys. Rev. Lett.76, 1599-1602 (1996). (pdf

 

(16) H. Häkkinen and M. Manninen, "Metallic clusters on an ionic surface", Europhys. Lett. 34, 177-182 (1996). (pdf

 

(15) H. Häkkinen and M. Manninen, "Electronic-structure-induced deformations of liquid metal clusters", Phys. Rev. B 52, 1540-1543 (1995). (pdf

 

(14) A. Landa, P. Wynblatt, H. Häkkinen, R. N. Barnett and U. Landman, "Equilibrium interphase interfaces and premelting of the Pb(110) surface", Phys. Rev. B 51, 10972-10980 (1995). (pdf

 

(13) R. N. Barnett, H.-P. Cheng, H. Häkkinen and U. Landman, "Studies of excess electrons in sodium chloride clusters and of excess protons in water clusters", J. Phys. Chem. 99, 7731-7753 (1995). 

 

(12) H. Häkkinen, R. N. Barnett and U. Landman, "Energetics, structure and excess electrons in small sodium-chloride clusters ", Chem. Phys. Lett. 232, 79-89 (1995). (pdf

 

(11) H. Häkkinen, R. N. Barnett and U. Landman, "Metallization of the Na14Cl13 cluster", Europhys. Lett. 28, 263-269 (1994). 

 

(10) J. Merikoski, H. Häkkinen, M. Manninen, J. Timonen and K. Kaski, "Roughening of the Cu(110) surface", Phys. Rev. B. 49, 4938-4947 (1994). (pdf

 

(9) H. Häkkinen and Uzi Landman, "Superheating, melting and annealing of copper surfaces", Phys. Rev. Lett. 71, 1023-1026 (1993). (pdf

 

(8) H. Häkkinen, J. Merikoski, M. Manninen, J. Timonen and K. Kaski, "Roughening of the Cu(110) surface", Phys. Rev. Lett. 70, 2451-2454 (1993). (pdf

 

(7) H. Häkkinen and M. Manninen, "Computer simulation of disordering and premelting of low-index faces of copper", Phys. Rev. B 46, 1725-1742 (1992). (pdf

 

(6) M. Manninen and H. Häkkinen, "A method for detecting vacancy diffusion in molecular dynamics", J. Comp. Phys. 100, 197-199 (1992). 

 

(5) H. Häkkinen, J. Mansikka-aho and M. Manninen, "From the Huckel model to effective-medium theory", J. Phys.: Condens. Matter 3, 7757-7762 (1991). 

 

(4) H. Häkkinen, J. Merikoski and M. Manninen, "Surface reconstruction and many-atom models", J. Phys.: Condens. Matter 3, 2755-2767 (1991). 

 

(3) H. Häkkinen, S. Mäkinen and M. Manninen, "Edge dislocations in fcc-metals: Microscopic calculations of core structure and positron states in Al and Cu", Phys. Rev. B 41, 12441-12453 (1990). (pdf

 

(2) H. Häkkinen and M. Manninen, "The effective-medium theory beyond the nearest-neighbour interaction", J. Phys.: Condens. Matter 1, 9765-9777 (1989). 

 

(1) H. Häkkinen, S. Mäkinen and M. Manninen, "Positron states in dislocations: Shallow and deep traps", Europhys. Lett. 9, 809-814 (1989).