PhD.bib

@article{Li_Experimentalobservationconfirmation_2002,
  title = {Experimental Observation and Confirmation of Icosahedral {{W}}@{{Au12}} and {{Mo}}@{{Au12}} Molecules},
  volume = {41},
  url = {http://doi.wiley.com/10.1002/anie.200290048},
  doi = {10.1002/anie.200290048},
  number = {24},
  journaltitle = {Angewandte Chemie International Edition},
  date = {2002-12},
  pages = {4786-4789},
  keywords = {density functional calculations,gold,Cluster compounds,Photoelectron spectroscopy,Tungsten,photoelectron spectroscopy,cluster compounds,tungsten},
  author = {Li, Xi and Kiran, Boggavarapu and Li, Jun and Zhai, Hua-Jin and Wang, Lai-Sheng},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EDZVAG88/Li et al. - 2002 - Experimental observation and confirmation of icosahedral W@Au12 and Mo@Au12 molecules.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/FBST475S/Li et al. - 2002 - Experimental Observation and Confirmation of Icosahedral W@Au12 and Mo@Au12 Molecules.pdf}
}

@article{Furche_structuressmallgold_2002,
  title = {The Structures of Small Gold Cluster Anions as Determined by a Combination of Ion Mobility Measurements and Density Functional Calculations},
  volume = {117},
  issn = {0021-9606},
  url = {http://scitation.aip.org/content/aip/journal/jcp/117/15/10.1063/1.1507582},
  doi = {10.1063/1.1507582},
  number = {15},
  journaltitle = {The Journal of Chemical Physics},
  date = {2002},
  pages = {6982-6982},
  author = {Furche, Filipp and Ahlrichs, Reinhart and Weis, Patrick and Jacob, Christoph and Gilb, Stefan and Bierweiler, Thomas and Kappes, Manfred M.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/JP2ZUCDX/1.1507582.pdf}
}

@article{Schwerdtfeger_Goldgoesnano_2003,
  title = {Gold Goes Nano - {{From}} Small Clusters to Low-Dimensional Assemblies},
  volume = {42},
  issn = {14337851 (ISSN)},
  doi = {10.1002/anie.200201610},
  number = {17},
  journaltitle = {Angewandte Chemie International Edition},
  date = {2003},
  pages = {1892-1895},
  keywords = {gold,Cluster compounds,Catalysis,Metal-metal interactions,Nanostructures},
  author = {Schwerdtfeger, Peter},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/B5BKKZTS/Schwerdtfeger-2003-Angewandte_Chemie_International_Edition.pdf}
}

@article{Vydrov_NonlocalvanWaals_2010,
  title = {Nonlocal van Der {{Waals}} Density Functional: {{The}} Simpler the Better},
  volume = {133},
  issn = {doi:10.1063/1.3521275},
  doi = {10.1063/1.3521275},
  number = {24},
  journaltitle = {The Journal of Chemical Physics},
  date = {2010},
  author = {Vydrov, Oleg A. and Van Voorhis, Troy},
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}

@article{Schwerdtfeger_topologyfullerenes_2015,
  title = {The Topology of Fullerenes},
  volume = {5},
  url = {http://doi.wiley.com/10.1002/wcms.1207},
  doi = {10.1002/wcms.1207},
  number = {1},
  journaltitle = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
  date = {2015},
  pages = {96-145},
  author = {Schwerdtfeger, Peter and Wirz, Lukas N and Avery, James},
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}

@article{Pyykko_IcosahedralWAu12Predicted_2002,
  title = {Icosahedral {{WAu12}}: {{A Predicted Closed}}-{{Shell Species}}, {{Stabilized}} by {{Aurophilic Attraction}} and {{Relativity}} and in {{Accord}} with the 18-{{Electron Rule This}} Work Was Supported by {{The Academy}} of {{Finland}}. {{The}} Computations Were Carried out at {{CSC}}, {{Espoo}}, {{Finland}}.},
  volume = {41},
  url = {http://doi.wiley.com/10.1002/1521-3773%2820020617%2941%3A12%3C2174%3A%3AAID-ANIE2174%3E3.0.CO%3B2-8},
  doi = {10.1002/1521-3773(20020617)41:12<2174::AID-ANIE2174>3.0.CO;2-8},
  number = {12},
  journaltitle = {Angewandte Chemie International Edition},
  date = {2002-06},
  pages = {2174-2174},
  keywords = {gold,Cluster compounds,Tungsten,Nanostructures,Icosahedral symmetry,nanostructures,cluster compounds,tungsten,icosahedral symmetry},
  author = {Pyykkö, Pekka and Runeberg, Nino},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/38NDDQ8D/Pyykkö, Runeberg - 2002 - Icosahedral WAu12 A Predicted Closed-Shell Species, Stabilized by Aurophilic Attraction and Relativity and in.pdf}
}

@article{rienstra-kiracofe_atomic_2002,
  title = {Atomic and {{Molecular Electron Affinities}}: {{Photoelectron Experiments}} and {{Theoretical Computations}}},
  volume = {102},
  issn = {0009-2665 (Print)},
  url = {http://pubs.acs.org/doi/abs/10.1021/cr990044u},
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  number = {1},
  journaltitle = {Chemical Reviews},
  date = {2002-01},
  pages = {231-282},
  author = {Rienstra-Kiracofe, Jonathan C. and Tschumper, Gregory S. and Schaefer, Henry F. and Nandi, Sreela and Ellison, G. Barney},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/ZGUTU2MB/Rienstra-Kiracofe et al. - 2002 - Atomic and Molecular Electron Affinities Photoelectron Experiments and Theoretical Computations.pdf}
}

@article{dong_gold_2010,
  title = {Gold Cluster beyond Hollow Cage: {{A}} Double Shell Structure of {{Au}}[Sub 58]},
  volume = {132},
  url = {http://scitation.aip.org/content/aip/journal/jcp/132/10/10.1063/1.3324961},
  doi = {10.1063/1.3324961},
  number = {10},
  journaltitle = {The Journal of Chemical Physics},
  date = {2010},
  pages = {104301-104301},
  author = {Dong, C. D. and Gong, X. G.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/V36HACT5/Dong, Gong - 2010 - Gold cluster beyond hollow cage A double shell structure of Ausub 58.pdf}
}

@article{tielens_prediction_2007,
  title = {Prediction of {{Gold Zigzag Nanotube}}-like {{Structure Based}} on {{Au32 Units}}: {{A Quantum Chemical Study}}},
  volume = {111},
  issn = {1932-7447},
  url = {http://pubs.acs.org/cgi-bin/doilookup/?10.1021/jp071246u},
  doi = {10.1021/jp071246u},
  number = {28},
  journaltitle = {Journal of Physical Chemistry C},
  date = {2007-07},
  pages = {10342-10346},
  author = {Tielens, Frederik and Andres, J.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/FE24V56B/Tielens, Andres - 2007 - Prediction of Gold Zigzag Nanotube-like Structure Based on Au32 Units A Quantum Chemical Study.pdf}
}

@article{Jalbout_LowSymmetryStructuresAu_2008,
  title = {Low-{{Symmetry Structures}} of {{Au}} 32 {{Z}} ( {{Z}} = +1, 0, −1) {{Clusters}}},
  volume = {112},
  url = {http://pubs.acs.org/doi/abs/10.1021/jp074852y},
  doi = {10.1021/jp074852y},
  number = {3},
  journaltitle = {The Journal of Physical Chemistry A},
  date = {2008-01},
  pages = {353-357},
  author = {Jalbout, Abraham F and Contreras-Torres, Flavio F. and Pérez, Luis A. and Garzón, Ignacio L.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/9REUBNJI/Jalbout et al. - 2008 - Low-Symmetry Structures of Au 32 Z ( Z = 1, 0, −1) Clusters.pdf}
}

@article{takeuchi_first-principles_1989,
  title = {First-Principles Calculations of Equilibrium Ground-State Properties of {{Au}} and {{Ag}}},
  volume = {40},
  url = {http://link.aps.org/doi/10.1103/PhysRevB.40.1565},
  doi = {10.1103/PhysRevB.40.1565},
  number = {3},
  journaltitle = {Physical Review B},
  date = {1989-07},
  pages = {1565-1570},
  author = {Takeuchi, Noboru and Chan, C. T. and Ho, K. M.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/V6UDPGEM/Takeuchi, Chan, Ho - 1989 - First-principles calculations of equilibrium ground-state properties of Au and Ag.pdf}
}

@article{glantschnig_relativistic_2010,
  title = {Relativistic Effects on the Linear Optical Properties of {{Au}}, {{Pt}}, {{Pb}} and {{W}}},
  volume = {12},
  doi = {10.1088/1367-2630/12/10/103048},
  journaltitle = {New Journal of Physics},
  date = {2010},
  author = {Glantschnig, Kathrin and Ambrosch-Draxl, Claudia},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/W9IAI4ID/Glantschnig, Ambrosch-Draxl - 2010 - Relativistic effects on the linear optical properties of Au, Pt, Pb and W.pdf}
}

@article{christensen_relativistic_1971,
  title = {Relativistic {{Band Calculation}} and {{Optical Properties}} of {{Gold}}},
  volume = {4},
  url = {http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=mekentosj&SrcApp=Papers&DestLinkType=FullRecord&DestApp=WOS&KeyUT=A1971K852600012%5Cnpapers2://publication/uuid/E4358035-1F8E-4778-A161-5B9FDAA80C39},
  doi = {10.1103/PhysRevB.4.3321},
  number = {10},
  journaltitle = {Physical Review B-Solid State},
  date = {1971},
  pages = {3321-+},
  author = {Christensen, N E and Seraphin, B O},
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}

@article{Mancera_alternativemethodologyassess_2015,
  title = {An Alternative Methodology to Assess the Quality of Empirical Potentials for Small Gold Clusters},
  volume = {1067},
  url = {http://linkinghub.elsevier.com/retrieve/pii/S2210271X15002236},
  doi = {10.1016/j.comptc.2015.05.026},
  journaltitle = {Computational and Theoretical Chemistry},
  date = {2015},
  pages = {24-32},
  keywords = {empirical potentials},
  author = {Mancera, Luis A. and Benoit, David M.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/HNAFENFI/Mancera, Benoit - 2015 - An alternative methodology to assess the quality of empirical potentials for small gold clusters.pdf}
}

@article{hangele_accurate_2012,
  eprinttype = {pubmed},
  eprint = {22697528},
  title = {Accurate Relativistic Energy-Consistent Pseudopotentials for the Superheavy Elements 111 to 118 Including Quantum Electrodynamic Effects},
  volume = {136},
  issn = {0521824737},
  doi = {10.1063/1.4723805},
  number = {21},
  journaltitle = {The Journal of Chemical Physics},
  date = {2012},
  pages = {214105-214105},
  author = {Hangele, Tim and Dolg, Michael and Hanrath, Michael and Cao, Xiaoyan and Schwerdtfeger, Peter},
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@article{Lechtken_Structuredeterminationgold_2009,
  title = {Structure Determination of Gold Clusters by Trapped Ion Electron Diffraction: {{Au}}(14)(-)-{{Au}}(19)(-).},
  volume = {11},
  issn = {1463-9076 1463-9084},
  doi = {10.1039/b821036e},
  number = {21},
  journaltitle = {Physical Chemistry Chemical Physics},
  date = {2009},
  pages = {4344-4350},
  keywords = {Au14- global minimum},
  author = {Lechtken, Anne and Neiss, Christian and Kappes, Manfred M and Schooss, Detlef},
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}

@article{takahata_dft_2006,
  title = {{{DFT}} Calculation of Core-Electron Binding Energies of Pyrimidine and Purine Bases},
  volume = {106},
  issn = {0953-8585},
  doi = {10.1002/qua.20993},
  number = {13},
  journaltitle = {International Journal of Quantum Chemistry},
  date = {2006},
  pages = {2581-2586},
  keywords = {dft,CEBE,DNA bases},
  author = {Takahata, Yuji and Okamoto, Andre K. and Chong, Delano P.},
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@article{chan_accurate_2013,
  title = {Accurate Computation of Cohesive Energies for Small to Medium-Sized Gold Clusters},
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  issn = {1549-9618},
  doi = {10.1021/ct400047y},
  number = {4},
  journaltitle = {Journal of Chemical Theory and Computation},
  date = {2013},
  pages = {1964-1970},
  keywords = {cohesive energies},
  author = {Chan, Bun and Yim, Wai Leung},
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@article{Schooss_Determiningsizedependentstructure_2010,
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  issn = {1364-503X},
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  date = {2010},
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  keywords = {electron diffraction,gold clusters,ion mobility,optical properties,structure},
  author = {Schooss, Detlef and Weis, Patrick and Hampe, Oliver and Kappes, Manfred M},
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@article{rincon_perturbatively_2011,
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  issn = {00092614},
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  journaltitle = {Chemical Physics Letters},
  date = {2011},
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  author = {Rincon, Luis and Hasmy, Anwar and Marquez, Manuel and Gonzalez, Carlos},
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@article{Pal_Structureevolutiongold_2011,
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  journaltitle = {The Journal of Chemical Physics},
  date = {2011},
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  author = {Pal, Rhitankar and Wang, Lei Ming and Huang, Wei and Wang, Lai Sheng and Zeng, Xiao Cheng},
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@article{Johansson_2D3Dtransitiongold_2008,
  title = {{{2D}}-{{3D}} Transition of Gold Cluster Anions Resolved},
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  issn = {0532021011},
  doi = {10.1103/PhysRevA.77.053202},
  number = {5},
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  date = {2008},
  pages = {1-7},
  keywords = {_Invalid DOI},
  author = {Johansson, Mikael P. and Lechtken, Anne and Schooss, Detlef and Kappes, Manfred M. and Furche, Filipp},
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@article{Autschbach_PropertiesWAu12_2004,
  title = {Properties of {{WAu12}}},
  volume = {6},
  issn = {0678489750},
  url = {http://xlink.rsc.org/?DOI=b310395a},
  doi = {10.1039/b310395a},
  number = {1},
  journaltitle = {Physical Chemistry Chemical Physics},
  date = {2004},
  pages = {11-11},
  author = {Autschbach, Jochen and Hess, Bernd A. and Johansson, Mikael P and Neugebauer, Johannes and Patzschke, Michael and Pyykkö, Pekka and Reiher, Markus and Sundholm, Dage},
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@article{ferrighi_2d-3d_2009,
  title = {{{2D}}-{{3D}} Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study.},
  volume = {131},
  issn = {0002-7863},
  doi = {10.1021/ja903069x},
  number = {30},
  journaltitle = {Journal of the American Chemical Society},
  date = {2009},
  pages = {10605-10609},
  author = {Ferrighi, Lara and Hammer, Bjørk and Madsen, Georg K H},
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}

@article{duan_structural_2014,
  title = {Structural and Electronic Properties of Chiral Single-Wall Copper Nanotubes},
  volume = {57},
  issn = {1674-7348},
  doi = {10.1007/s11433-013-5387-8},
  number = {4},
  journaltitle = {Science China: Physics, Mechanics and Astronomy},
  date = {2014},
  pages = {644-651},
  keywords = {Cu nanotube,density-functional theory,electronic property,structural property},
  author = {Duan, Yingni and Zhang, Jianmin and Xu, Kewei},
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}

@article{li_au_2003,
  title = {Au 20: {{A Tetrahedral Cluster}}},
  volume = {299},
  doi = {10.1126/science.1079879},
  issue = {FEBRUARY},
  journaltitle = {Science},
  date = {2003},
  pages = {864-864},
  author = {Li, Jun},
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}

@article{Assadollahzadeh_systematicsearchminimum_2009,
  title = {A Systematic Search for Minimum Structures of Small Gold Clusters {{Au}}[Sub n] (N=2–20) and Their Electronic Properties},
  volume = {131},
  url = {http://scitation.aip.org/content/aip/journal/jcp/131/6/10.1063/1.3204488},
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  journaltitle = {The Journal of Chemical Physics},
  date = {2009},
  pages = {064306-064306},
  keywords = {_Invalid DOI},
  author = {Assadollahzadeh, Behnam and Schwerdtfeger, Peter},
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}

@article{Gotz_performancedensityfunctional_2013,
  eprinttype = {pubmed},
  eprint = {23720388},
  title = {The Performance of Density Functional and Wavefunction-Based Methods for {{2D}} and {{3D}} Structures of {{Au10}}.},
  volume = {34},
  doi = {10.1002/jcc.23338},
  number = {23},
  journaltitle = {Journal of Computational Chemistry},
  date = {2013-09},
  pages = {1975-81},
  keywords = {gold clusters},
  author = {Götz, Daniel A. and Schäfer, Rolf and Schwerdtfeger, Peter},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/JZVC5Z77/Götz, Schäfer, Schwerdtfeger - 2013 - The performance of density functional and wavefunction-based methods for 2D and 3D structures of.pdf}
}

@article{Schwerdtfeger_Programfullerenesoftware_2013,
  eprinttype = {pubmed},
  eprint = {23666816},
  title = {Program Fullerene: A Software Package for Constructing and Analyzing Structures of Regular Fullerenes.},
  volume = {34},
  doi = {10.1002/jcc.23278},
  number = {17},
  journaltitle = {Journal of Computational Chemistry},
  date = {2013-06},
  pages = {1508-1526},
  author = {Schwerdtfeger, Peter and Wirz, Lukas and Avery, James},
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@article{Chen_Structuresneutralanionic_2010,
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  journaltitle = {The Journal of Chemical Physics},
  date = {2010},
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}

@article{Johansson_Au3224CaratGolden_2004,
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  url = {http://doi.wiley.com/10.1002/anie.200453986},
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  number = {20},
  journaltitle = {Angewandte Chemie International Edition},
  date = {2004-05},
  pages = {2678-2681},
  keywords = {density functional calculations,relativistic effects,gold,fullerenes,clusters},
  author = {Johansson, Mikael P. and Sundholm, Dage and Vaara, Juha},
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@article{mironov_investigation_2011,
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  volume = {50},
  url = {http://link.springer.com/10.1134/S1063783408010344},
  doi = {10.1134/S1063783408010344},
  number = {1},
  journaltitle = {Physics of the Solid State},
  date = {2011-02},
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@article{Doye_Saddlepointsdynamics_2002,
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@article{Hayes_ScienceStickySpheres_2012,
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@software{_pelePythonenergy_2017,
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@article{Arkus_DerivingFiniteSphere_2011,
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@article{Holmes-Cerfon_EnumeratingRigidSphere_2016,
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}

@article{Holmes-Cerfon_StickySphereClusters_2017,
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@article{Kallus_Freeenergysingular_2017,
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  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/5KG7GI2Q/van de Waal - 1993 - Icosahedral, decahedral, fcc, and defect‐fcc struc.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/3H57XMKC/1.html}
}

@article{deHeer_physicssimplemetal_1993,
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  urldate = {2018-05-01},
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  author = {{W. A. de Heer}},
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@article{Doye_effectrangepotential_1996,
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}

@article{Wales_Whatcancalculations_1996,
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  title = {What Can Calculations Employing Empirical Potentials Teach Us about Bare Transition-Metal Clusters?},
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}

@article{Wales_ChangesMorphologyCapping_1996,
  title = {Changes of {{Morphology}} and {{Capping}} of {{Model Transition Metal Clusters}}},
  volume = {100},
  issn = {0022-3654},
  url = {https://doi.org/10.1021/jp952521s},
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  author = {Wales, David J. and Munro, Lindsey J.},
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}

@article{Doye_Structuralconsequencesrange_1997,
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}

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  keywords = {11H31; 49K35; 52C17; 52C25; 53C22; 55R80; 57R70; 58E05; 58K05; 70G10; 82B05,Condensed Matter - Materials Science,Mathematics - Combinatorics,Mathematics - Metric Geometry},
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@article{Lennard-Jones_Perturbationproblemsquantum_1930,
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@article{Slater_VanWaalsForces_1931,
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@article{London_ZurTheorieund_1930,
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@article{Jones_atomicfieldshelium_1925,
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@article{Lennard-Jones_theoreticalcalculationsphysical_1925,
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}

@article{Lennard-Jones_molecularfieldshydrogen_1926,
  langid = {english},
  title = {The Molecular Fields of Hydrogen, Nitrogen and Neon},
  volume = {112},
  issn = {0950-1207, 2053-9150},
  url = {http://rspa.royalsocietypublishing.org/content/112/760/214},
  doi = {10/b97hsg},
  number = {760},
  journaltitle = {Proceedings of the Royal Society A},
  shortjournal = {Proc. R. Soc. Lond. A},
  urldate = {2018-10-16},
  date = {1926-08-03},
  pages = {214-229},
  author = {Lennard-Jones, John Edward and Cook, W. R.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/JG5E7E7J/Lennard-Jones and Cook - 1926 - The molecular fields of hydrogen, nitrogen and neo.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EQC3GL6I/214.html}
}

@article{Lennard-Jones_equationstategaseous_1927,
  langid = {english},
  title = {The Equation of State of a Gaseous Mixture},
  volume = {115},
  issn = {0950-1207, 2053-9150},
  url = {http://rspa.royalsocietypublishing.org/content/115/771/334},
  doi = {10/b653jh},
  number = {771},
  journaltitle = {Proceedings of the Royal Society A},
  shortjournal = {Proc. R. Soc. Lond. A},
  urldate = {2018-10-16},
  date = {1927-07-01},
  pages = {334-348},
  author = {Lennard-Jones, John Edward and Cook, W. R.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/HVMCMLFZ/Lennard-Jones and Cook - 1927 - The equation of state of a gaseous mixture.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/I7BTSH9W/334.html}
}

@book{Jeans_DynamicalTheoryGases_1921,
  langid = {english},
  location = {{Cambridge}},
  title = {The {{Dynamical Theory}} of {{Gases}}},
  url = {https://archive.org/details/3eddynamicaltheo00jeanuoft/page/128},
  publisher = {{University Press}},
  date = {1921},
  keywords = {❓Multiple DOI},
  author = {Jeans, James Hopwood},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/4MLCDXAJ/Jeans and Sir - The dynamical theory of gases.pdf}
}

@incollection{KamerlinghOnnes_Expressionequationstate_1902,
  location = {{Amsterdam}},
  title = {Expression of the Equation of State of Gases and Liquids Bby Means of Series},
  volume = {4},
  url = {https://biodiversitylibrary.org/page/13920495},
  booktitle = {Proceedings of the Section of Sciences},
  publisher = {{Johannes Müller}},
  date = {1902},
  author = {Kamerlingh Onnes, H.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/YG4ENYEN/Kamerlingh Onnes - 1902 - Expression of the equation of state of gases and l.pdf}
}

@article{Jones_EquationStateGas_1924,
  langid = {english},
  title = {The {{Equation}} of {{State}} of a {{Gas}}},
  volume = {22},
  issn = {1469-8064, 0305-0041},
  url = {https://www.cambridge.org/core/journals/mathematical-proceedings-of-the-cambridge-philosophical-society/article/equation-of-state-of-a-gas/48ACAC9995477398500CCB25684F3BA5},
  doi = {10/b2v2sr},
  number = {2},
  journaltitle = {Mathematical Proceedings of the Cambridge Philosophical Society},
  urldate = {2018-10-24},
  date = {1924-05},
  pages = {105-112},
  author = {Jones, J. E.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/4TKJ9RFH/Jones - 1924 - The Equation of State of a Gas.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/S7XQFSCI/48ACAC9995477398500CCB25684F3BA5.html}
}

@article{Core_XXVIsecondvirial_1923,
  title = {{{XXVI}}. {{The}} Second Virial Coefficient of Gases},
  volume = {46},
  issn = {1941-5982},
  url = {https://doi.org/10.1080/14786442308634244},
  doi = {10/bvdj7n},
  number = {272},
  journaltitle = {The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science},
  urldate = {2018-10-24},
  date = {1923-08-01},
  pages = {256-272},
  author = {Core, Angus F.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/YDIIDK6T/Core - 1923 - XXVI. The second virial coefficient of gases.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/6EBAFPZA/14786442308634244.html}
}

@article{Ursell_evaluationGibbsphaseintegral_1927,
  langid = {english},
  title = {The Evaluation of {{Gibbs}}' Phase-Integral for Imperfect Gases},
  volume = {23},
  issn = {1469-8064, 0305-0041},
  url = {https://www.cambridge.org/core/journals/mathematical-proceedings-of-the-cambridge-philosophical-society/article/evaluation-of-gibbs-phaseintegral-for-imperfect-gases/CE0BADD835C14D49FC512DA653CC24F1},
  doi = {10/dxbsmx},
  number = {6},
  journaltitle = {Mathematical Proceedings of the Cambridge Philosophical Society},
  urldate = {2018-10-30},
  date = {1927-04},
  pages = {685-697},
  author = {Ursell, H. D.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/CGWPHVVB/Ursell - 1927 - The evaluation of Gibbs' phase-integral for imperf.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/7A4R7VPI/CE0BADD835C14D49FC512DA653CC24F1.html}
}

@article{Axilrod_InteractionvanWaals_1943,
  langid = {english},
  title = {Interaction of the van Der {{Waals Type Between Three Atoms}}},
  volume = {11},
  issn = {0021-9606, 1089-7690},
  url = {http://aip.scitation.org/doi/10.1063/1.1723844},
  doi = {10/fqtzbp},
  number = {6},
  journaltitle = {The Journal of Chemical Physics},
  urldate = {2018-11-04},
  date = {1943-06},
  pages = {299-300},
  author = {Axilrod, B. M. and Teller, E.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/K2QK5CWI/Axilrod and Teller - 1943 - Interaction of the van der Waals Type Between Thre.pdf}
}

@article{Jones_calculationcertaincrystal_1925,
  langid = {english},
  title = {On the Calculation of Certain Crystal Potential Constants, and on the Cubic Crystal of Least Potential Energy},
  volume = {107},
  issn = {0950-1207, 2053-9150},
  url = {http://rspa.royalsocietypublishing.org/content/107/744/636},
  doi = {10/ckmztd},
  number = {744},
  journaltitle = {Proceedings of the Royal Society A},
  shortjournal = {Proc. R. Soc. Lond. A},
  urldate = {2018-11-09},
  date = {1925-04-01},
  pages = {636-653},
  author = {Jones, Janet E. and Ingham, Albert Edward},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/2MTJYC7J/Jones and Ingham - 1925 - On the calculation of certain crystal potential co.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/K7J8FXNJ/636.html}
}

@inproceedings{Cordella_PerformanceevaluationVF_1999,
  title = {Performance Evaluation of the {{VF}} Graph Matching Algorithm},
  doi = {10.1109/ICIAP.1999.797762},
  eventtitle = {Proceedings 10th {{International Conference}} on {{Image Analysis}} and {{Processing}}},
  booktitle = {Proceedings 10th {{International Conference}} on {{Image Analysis}} and {{Processing}}},
  date = {1999-09},
  pages = {1172-1177},
  keywords = {computational complexity,Computational complexity,Computational efficiency,computer vision,Data structures,Decision support systems,Decision trees,image matching,memory requirements,performance evaluation,Prototypes,Spatial databases,tree data structures,Tree graphs,VF graph matching},
  author = {Cordella, L. P. and Foggia, P. and Sansone, C. and Vento, M.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/YBLM8ZZZ/Cordella et al. - 1999 - Performance evaluation of the VF graph matching al.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EV6CAFPG/797762.html}
}

@article{Kakar_SizedependentKedgeEXAFS_1997,
  title = {Size-Dependent {{K}}-Edge {{EXAFS}} Study of the Structure of Free {{Ar}} Clusters},
  volume = {78},
  url = {https://link.aps.org/doi/10.1103/PhysRevLett.78.1675},
  doi = {10/ck72wv},
  number = {9},
  journaltitle = {Physical Review Letters},
  shortjournal = {Phys. Rev. Lett.},
  urldate = {2018-11-14},
  date = {1997-03-03},
  pages = {1675-1678},
  author = {Kakar, S. and Björneholm, O. and Weigelt, J. and de Castro, A. R. B. and Tröger, L. and Frahm, R. and Möller, T. and Knop, A. and Rühl, E.},
  options = {useprefix=true},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/XDS4MQZI/Kakar et al. - 1997 - Size-dependent K-edge EXAFS study of the structure.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/FNXQR3HA/PhysRevLett.78.html}
}

@article{Kirkpatrick_OptimizationSimulatedAnnealing_1983,
  langid = {english},
  title = {Optimization by {{Simulated Annealing}}},
  volume = {220},
  issn = {0036-8075, 1095-9203},
  url = {http://science.sciencemag.org/content/220/4598/671},
  doi = {10/cn7jh2},
  number = {4598},
  journaltitle = {Science},
  urldate = {2018-11-19},
  date = {1983-05-13},
  pages = {671-680},
  author = {Kirkpatrick, S. and Gelatt, C. D. and Vecchi, M. P.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/M4QB23VP/Kirkpatrick et al. - 1983 - Optimization by Simulated Annealing.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EUJW8NQB/671.html},
  eprinttype = {pmid},
  eprint = {17813860}
}

@article{Metropolis_EquationStateCalculations_1953,
  title = {Equation of {{State Calculations}} by {{Fast Computing Machines}}},
  volume = {21},
  issn = {0021-9606},
  url = {https://aip.scitation.org/doi/10.1063/1.1699114},
  doi = {10/ds736f},
  number = {6},
  journaltitle = {The Journal of Chemical Physics},
  shortjournal = {J. Chem. Phys.},
  urldate = {2018-11-20},
  date = {1953-06-01},
  pages = {1087-1092},
  author = {Metropolis, Nicholas and Rosenbluth, Arianna W. and Rosenbluth, Marshall N. and Teller, Augusta H. and Teller, Edward},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/S9FRZRH5/Metropolis et al. - 1953 - Equation of State Calculations by Fast Computing M.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EJT4WY8D/1.html}
}

@article{Doye_Modelingstructureclusters_2001,
  title = {Modeling the Structure of Clusters of \$\{\textbackslash{}mathrm\{\vphantom{\}\}}{{C}}\vphantom\{\}\vphantom\{\}\_\{60\}\$ Molecules},
  volume = {64},
  url = {https://link.aps.org/doi/10.1103/PhysRevB.64.235409},
  doi = {10/fncm9w},
  number = {23},
  journaltitle = {Physical Review B},
  shortjournal = {Phys. Rev. B},
  urldate = {2018-11-21},
  date = {2001-11-16},
  pages = {235409},
  author = {Doye, Jonathan P. K. and Wales, David J. and Branz, Wolfgang and Calvo, Florent},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EREZKXIC/Doye et al. - 2001 - Modeling the structure of clusters of $ mathrm C .pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/EUK7IC9I/PhysRevB.64.html}
}

@article{Hartke_Globalgeometryoptimization_1993,
  title = {Global Geometry Optimization of Clusters Using Genetic Algorithms},
  volume = {97},
  issn = {0022-3654},
  url = {https://doi.org/10.1021/j100141a013},
  doi = {10/bk7kx7},
  number = {39},
  journaltitle = {The Journal of Physical Chemistry},
  shortjournal = {J. Phys. Chem.},
  urldate = {2018-11-22},
  date = {1993-09-01},
  pages = {9973-9976},
  author = {Hartke, Bernd},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/K7MAD7RH/Hartke - 1993 - Global geometry optimization of clusters using gen.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/TYCWBNUL/j100141a013.html}
}

@article{Cerjan_findingtransitionstates_1981,
  langid = {english},
  title = {On Finding Transition States},
  volume = {75},
  issn = {0021-9606, 1089-7690},
  url = {http://aip.scitation.org/doi/10.1063/1.442352},
  doi = {10/bz8cfq},
  number = {6},
  journaltitle = {The Journal of Chemical Physics},
  urldate = {2018-11-25},
  date = {1981-09-15},
  pages = {2800-2806},
  author = {Cerjan, Charles J. and Miller, William H.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/592GJG3W/Cerjan and Miller - 1981 - On finding transition states.pdf}
}

@article{Ball_Dynamicsstatisticalsamples_1999,
  title = {Dynamics on Statistical Samples of Potential Energy Surfaces},
  volume = {111},
  issn = {0021-9606},
  url = {https://aip.scitation.org/doi/10.1063/1.479474},
  doi = {10/cvh348},
  number = {5},
  journaltitle = {The Journal of Chemical Physics},
  shortjournal = {J. Chem. Phys.},
  urldate = {2018-11-27},
  date = {1999-07-20},
  pages = {2060-2070},
  author = {Ball, Keith D. and Berry, R. Stephen},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/4WQ4N9FU/Ball and Berry - 1999 - Dynamics on statistical samples of potential energ.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/2XB2SY58/1.html}
}

@article{Ornstein_Accidentaldeviationsdensity_1914,
  langid = {english},
  title = {Accidental Deviations of Density and Opalescence at the Critical Point of a Single Substance},
  volume = {17},
  url = {http://www.dwc.knaw.nl/toegangen/digital-library-knaw/?pagetype=publDetail&pId=PU00012643},
  journaltitle = {Proceedings of the Section of Sciences},
  date = {1914},
  pages = {793},
  keywords = {🔍No DOI found},
  author = {Ornstein, L S and Zernike, F},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/5LVK88M9/Ornstein and Zernike - Accidental deviations of density and opalescence a.pdf}
}

@article{Percus_AnalysisClassicalStatistical_1958,
  title = {Analysis of {{Classical Statistical Mechanics}} by {{Means}} of {{Collective Coordinates}}},
  volume = {110},
  url = {https://link.aps.org/doi/10.1103/PhysRev.110.1},
  doi = {10/b4d735},
  number = {1},
  journaltitle = {Physical Review},
  shortjournal = {Phys. Rev.},
  urldate = {2018-11-27},
  date = {1958-04-01},
  pages = {1-13},
  author = {Percus, Jerome K. and Yevick, George J.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/HFC92Q34/Percus and Yevick - 1958 - Analysis of Classical Statistical Mechanics by Mea.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/ZXSKMCPI/PhysRev.110.html}
}

@unpublished{Patterson_AspectsEulerTheorem_1977,
  langid = {english},
  venue = {{Singapore}},
  title = {Some {{Aspects}} of {{Euler}}'s {{Theorem}}},
  url = {https://sms.math.nus.edu.sg/smsmedley/Vol-05-1/Some%20aspects%20of%20Euler's%20Theorem(E%20M%20Patterson).pdf},
  date = {1977},
  keywords = {⛔ No DOI found},
  author = {Patterson, E. M.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/4VY38DFF/Patterson - SOME ASPECTS OF EULER'S THEOREM1'.pdf}
}

@inproceedings{Cordella_SubgraphTransformationsInexact_1998,
  langid = {english},
  title = {Subgraph {{Transformations}} for the {{Inexact Matching}} of {{Attributed Relational Graphs}}},
  isbn = {978-3-7091-6487-7},
  booktitle = {Graph {{Based Representations}} in {{Pattern Recognition}}},
  series = {Computing {{Supplement}}},
  publisher = {{Springer Vienna}},
  date = {1998},
  pages = {43-52},
  keywords = {68T10 (68R10),Attributed relational graphs,graph isomorphism,inexact matching},
  author = {Cordella, L. P. and Foggia, P. and Sansone, C. and Vento, M.},
  editor = {Jolion, Jean-Michel and Kropatsch, Walter G.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/ADXRN7E5/Cordella et al. - 1998 - Subgraph Transformations for the Inexact Matching .pdf}
}

@incollection{Kusner_ConfigurationSpacesEqual_2018,
  langid = {english},
  location = {{Berlin, Heidelberg}},
  title = {Configuration {{Spaces}} of {{Equal Spheres Touching}} a {{Given Sphere}}: {{The Twelve Spheres Problem}}},
  isbn = {978-3-662-57413-3},
  url = {https://doi.org/10.1007/978-3-662-57413-3_10},
  shorttitle = {Configuration {{Spaces}} of {{Equal Spheres Touching}} a {{Given Sphere}}},
  booktitle = {New {{Trends}} in {{Intuitive Geometry}}},
  series = {Bolyai {{Society Mathematical Studies}}},
  publisher = {{Springer Berlin Heidelberg}},
  urldate = {2018-12-20},
  date = {2018},
  pages = {219-277},
  keywords = {11H31,49K35,52C17,52C25,53C22,55R80,57R70,58E05,58K05,70G10,82B05,Configuration spaces,Constrained optimization,Criticality,Discrete geometry,Materials science,Morse theory},
  author = {Kusner, Rob and Kusner, Wöden and Lagarias, Jeffrey C. and Shlosman, Senya},
  editor = {Ambrus, Gergely and Bárány, Imre and Böröczky, Károly J. and Fejes Tóth, Gábor and Pach, János},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/D2MTQC8H/Kusner et al. - 2018 - Configuration Spaces of Equal Spheres Touching a G.pdf},
  doi = {10.1007/978-3-662-57413-3_10}
}

@article{Kuo_MackayAntiMackayDoubleMackay_2002,
  langid = {english},
  title = {Mackay, {{Anti}}-{{Mackay}}, {{Double}}-{{Mackay}}, {{Pseudo}}-{{Mackay}}, and {{Related Icosahedral Shell Clusters}}},
  volume = {13},
  issn = {1572-9001},
  url = {https://doi.org/10.1023/A:1015847520094},
  doi = {10/fhdh32},
  number = {3},
  journaltitle = {Structural Chemistry},
  shortjournal = {Structural Chemistry},
  urldate = {2018-12-20},
  date = {2002-08-01},
  pages = {221-230},
  keywords = {hierarchic structures,icosahedral shell clusters,Mackay polyhedra},
  author = {Kuo, K. H.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/LBY83P3K/Kuo - 2002 - Mackay, Anti-Mackay, Double-Mackay, Pseudo-Mackay,.pdf}
}

@article{Musin_TammesProblem14_2015,
  title = {The {{Tammes Problem}} for {{N}} = 14},
  volume = {24},
  issn = {1058-6458},
  url = {https://doi.org/10.1080/10586458.2015.1022842},
  doi = {10/gfrm69},
  number = {4},
  journaltitle = {Experimental Mathematics},
  urldate = {2018-12-24},
  date = {2015-10-02},
  pages = {460-468},
  keywords = {52C17,05B40,irreducible contact graph,sphere packing,Tammes problem},
  author = {Musin, Oleg R. and Tarasov, Alexey S.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/HBGT2W2I/Musin and Tarasov - 2015 - The Tammes Problem for N = 14.pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/2N7DH578/10586458.2015.html}
}

@article{Musin_kissingnumberfour_2008,
  langid = {english},
  title = {The Kissing Number in Four Dimensions},
  volume = {168},
  issn = {0003-486X},
  url = {http://annals.math.princeton.edu/2008/168-1/p01},
  doi = {10/cth9rr},
  number = {1},
  journaltitle = {Annals of Mathematics},
  urldate = {2018-12-24},
  date = {2008-07-01},
  pages = {1-32},
  author = {Musin, Oleg},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/PYPQ5YHF/Musin - 2008 - The kissing number in four dimensions.pdf}
}

@article{Kinaci_UnravelingPlanarGlobularTransition_2016,
  langid = {english},
  title = {Unraveling the {{Planar}}-{{Globular Transition}} in {{Gold Nanoclusters}} through {{Evolutionary Search}}},
  volume = {6},
  issn = {2045-2322},
  url = {https://www.nature.com/articles/srep34974},
  doi = {10/gfscxv},
  journaltitle = {Scientific Reports},
  urldate = {2018-12-28},
  date = {2016-11-28},
  pages = {34974},
  author = {Kinaci, Alper and Narayanan, Badri and Sen, Fatih G. and Davis, Michael J. and Gray, Stephen K. and Sankaranarayanan, Subramanian K. R. S. and Chan, Maria K. Y.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/88CSPAWE/Kinaci et al. - 2016 - Unraveling the Planar-Globular Transition in Gold .pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/HQXA73F9/srep34974.html}
}

@article{Wirz_Namingpolyhedrageneral_2018,
  title = {Naming Polyhedra by General Face-Spirals – {{Theory}} and Applications to Fullerenes and Other Polyhedral Molecules},
  volume = {26},
  issn = {1536-383X},
  url = {https://doi.org/10.1080/1536383X.2017.1388231},
  doi = {10/gfscx2},
  number = {10},
  journaltitle = {Fullerenes, Nanotubes and Carbon Nanostructures},
  urldate = {2018-12-28},
  date = {2018-10-03},
  pages = {607-630},
  keywords = {fullerenes,general face-spirals,polydedral molecules,Polyhedra},
  author = {Wirz, Lukas N. and Schwerdtfeger, Peter and Avery, James E.},
  file = {/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/RIUPKJ5I/Wirz et al. - 2018 - Naming polyhedra by general face-spirals – Theory .pdf;/home/trombach/.zotero/zotero/yhjnkvs7.default/zotero/storage/JBDUTDQ8/1536383X.2017.html}
}

@article{Kroto_C60Buckminsterfullerene_1985,
  langid = {english},
  title = {C60: {{Buckminsterfullerene}}},
  volume = {318},
  issn = {0028-0836, 1476-4687},
  url = {http://www.nature.com/articles/318162a0},
  doi = {10/b279d4},
  shorttitle = {C60},
  number = {6042},
  journaltitle = {Nature},
  urldate = {2019-01-01},
  date = {1985-11},
  pages = {162-163},
  author = {Kroto, H. W. and Heath, J. R. and O'Brien, S. C. and Curl, R. F. and Smalley, R. E.}
}

@article{Iijima_Helicalmicrotubulesgraphitic_1991,
  langid = {english},
  title = {Helical Microtubules of Graphitic Carbon},
  volume = {354},
  issn = {0028-0836, 1476-4687},
  url = {http://www.nature.com/articles/354056a0},
  doi = {10/c2vhk3},
  number = {6348},
  journaltitle = {Nature},
  urldate = {2019-01-02},
  date = {1991-11},
  pages = {56-58},
  author = {Iijima, Sumio}
}