{  
   "types" : {
      "Bookmark" : {
         "pluralLabel" : "Bookmarks"
      },
      "Publication" : {
         "pluralLabel" : "Publications"
      },
      "GoldStandardPublication" : {
         "pluralLabel" : "GoldStandardPublications"
      },
      "GoldStandardBookmark" : {
         "pluralLabel" : "GoldStandardBookmarks"
      },
      "Tag" : {
         "pluralLabel" : "Tags"
      },
      "User" : {
         "pluralLabel" : "Users"
      },
      "Group" : {
         "pluralLabel" : "Groups"
      },
      "Sphere" : {
         "pluralLabel" : "Spheres"
      }
   },
   
   "properties" : {
      "count" : {
         "valueType" : "number"
      },
      "date" : {
         "valueType" : "date"
      },
      "changeDate" : {
         "valueType" : "date"
      },
      "url" : {
         "valueType" : "url"
      },
      "id" : {
         "valueType" : "url"
      },
      "tags" : {
         "valueType" : "item"
      },
      "user" : {
         "valueType" : "item"
      }      
   },
   
   "items" : [
   	  
      {
         "type" : "Publication",
         "id"   : "https://puma.ub.uni-stuttgart.de/bibtex/242a6a4ce7eb8e3f9d5f10d378b67dd2e/mstier",         
         "tags" : [
            "3-4(ii)","theoretische","stuttgart","exc2075","chemie","3","kaestner","pn3","pn3-4(II)","kästner","updated","pn","theochem"
         ],
         
         "intraHash" : "42a6a4ce7eb8e3f9d5f10d378b67dd2e",
         "interHash" : "05dc7efe41d83def9ba1b5da66c53f36",
         "label" : "Electrochemical trifluoromethylation of imidazoles: Mechanistic insight from computation",
         "user" : "mstier",
         "description" : "",
         "date" : "2025-02-03 10:49:41",
         "changeDate" : "2025-02-03 10:49:41",
         "count" : 5,
         "pub-type": "article",
         "journal": "Chem. Phys. Lett.",
         "year": "2025", 
         "url": "http://dx.doi.org/doi.org/10.1016/j.cplett.2024.141842", 
         
         "author": [ 
            "Michael Stier","Johannes Kästner","Patrick M. Becker"
         ],
         "authors": [
         	
            	{"first" : "Michael",	"last" : "Stier"},
            	{"first" : "Johannes",	"last" : "Kästner"},
            	{"first" : "Patrick M.",	"last" : "Becker"}
         ],
         "pages": "141842",
         "doi" : "doi.org/10.1016/j.cplett.2024.141842",
         
         "bibtexKey": "sti25"

      }
,
      {
         "type" : "Publication",
         "id"   : "https://puma.ub.uni-stuttgart.de/bibtex/23ecd0b56047c20ef1e2daad285578639/mstier",         
         "tags" : [
            "A-3","theoretische","stuttgart","chemie","3","kaestner","6","kästner","PN","theochem"
         ],
         
         "intraHash" : "3ecd0b56047c20ef1e2daad285578639",
         "interHash" : "0a986620cefee39f1fa5f5b9aa162381",
         "label" : "Machine learning-driven investigation of the structure and dynamics of the BMIM-BF4 room temperature ionic liquid",
         "user" : "mstier",
         "description" : "",
         "date" : "2024-12-06 13:23:14",
         "changeDate" : "2024-12-06 13:23:14",
         "count" : 3,
         "pub-type": "article",
         "journal": "Faraday Discuss.",
         "year": "2024", 
         "url": "", 
         
         "author": [ 
            "Fabian Zills","Moritz R. Schäfer","Samuel Tovey","Johannes Kästner","Christian Holm"
         ],
         "authors": [
         	
            	{"first" : "Fabian",	"last" : "Zills"},
            	{"first" : "Moritz R.",	"last" : "Schäfer"},
            	{"first" : "Samuel",	"last" : "Tovey"},
            	{"first" : "Johannes",	"last" : "Kästner"},
            	{"first" : "Christian",	"last" : "Holm"}
         ],
         "volume": "253","pages": "129-145",
         "doi" : "10.1039/D4FD00025K",
         
         "bibtexKey": "zil24a"

      }
,
      {
         "type" : "Publication",
         "id"   : "https://puma.ub.uni-stuttgart.de/bibtex/2ac370fa7743902ae86e187835955a477/mstier",         
         "tags" : [
            "chemie","3","kaestner","kästner","theoretische","stuttgart","3-4(II)","PN","theochem"
         ],
         
         "intraHash" : "ac370fa7743902ae86e187835955a477",
         "interHash" : "99f9d1de09f3d6401e8b8fcc1bccc0d9",
         "label" : "Redox−Acid/Base Phase Diagrams as an Entry to Computational Redox Chemistry",
         "user" : "mstier",
         "description" : "",
         "date" : "2024-10-28 09:57:09",
         "changeDate" : "2024-12-06 13:30:36",
         "count" : 6,
         "pub-type": "article",
         "journal": "ChemElectroChem",
         "year": "2024", 
         "url": "http://dx.doi.org/https://doi.org/10.1002/celc.202400301", 
         
         "author": [ 
            "Patrick M. Becker","Katja Heinze","Biprajit Sarkar","Johannes Kästner"
         ],
         "authors": [
         	
            	{"first" : "Patrick M.",	"last" : "Becker"},
            	{"first" : "Katja",	"last" : "Heinze"},
            	{"first" : "Biprajit",	"last" : "Sarkar"},
            	{"first" : "Johannes",	"last" : "Kästner"}
         ],
         "volume": "11","number": "20","pages": "e202400301",
         "doi" : "https://doi.org/10.1002/celc.202400301",
         
         "bibtexKey": "bec24"

      }
,
      {
         "type" : "Publication",
         "id"   : "https://puma.ub.uni-stuttgart.de/bibtex/265200d7a79f2d53cbf585dc001367089/mstier",         
         "tags" : [
            "chemie","3","kaestner","kästner","theoretische","stuttgart","3-4(II)","PN","theochem"
         ],
         
         "intraHash" : "65200d7a79f2d53cbf585dc001367089",
         "interHash" : "45f321147ed11675b9d45a481a0cfd42",
         "label" : "Formation of the Interstellar Sugar Precursor, (Z)-1,2-Ethenediol, through Radical Reactions on Dust Grains",
         "user" : "mstier",
         "description" : "",
         "date" : "2024-10-09 18:06:31",
         "changeDate" : "2024-12-06 13:33:28",
         "count" : 6,
         "pub-type": "article",
         "journal": "Astrophys. J.",
         "year": "2024", 
         "url": "http://dx.doi.org/10.3847/1538-4357/ad6f9a", 
         
         "author": [ 
            "Juan Carlos del Valle","Pilar Redondo","Johannes Kästner","Germán Molpeceres"
         ],
         "authors": [
         	
            	{"first" : "Juan Carlos",	"last" : "del Valle"},
            	{"first" : "Pilar",	"last" : "Redondo"},
            	{"first" : "Johannes",	"last" : "Kästner"},
            	{"first" : "Germán",	"last" : "Molpeceres"}
         ],
         "volume": "974","pages": "129",
         "doi" : "10.3847/1538-4357/ad6f9a",
         
         "bibtexKey": "val24"

      }
,
      {
         "type" : "Publication",
         "id"   : "https://puma.ub.uni-stuttgart.de/bibtex/2f960cf173e072c4c9a7713835ea9f6ba/mstier",         
         "tags" : [
            "A-1","A-3","A-5","A-7","theoretische","AISA","stuttgart","chemie","3","kaestner","6","kästner","PN","theochem"
         ],
         
         "intraHash" : "f960cf173e072c4c9a7713835ea9f6ba",
         "interHash" : "36fdf4573e5a2d99a57a4efc60f72f55",
         "label" : "Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly",
         "user" : "mstier",
         "description" : "",
         "date" : "2024-05-03 15:25:03",
         "changeDate" : "2025-06-23 16:49:23",
         "count" : 10,
         "pub-type": "article",
         "journal": "J. Phys. Chem. B",
         "year": "2024", 
         "url": "https://doi.org/10.1021/acs.jpcb.3c07187", 
         
         "author": [ 
            "Fabian Zills","Moritz René Schäfer","Nico Segreto","Johannes Kästner","Christian Holm","Samuel Tovey"
         ],
         "authors": [
         	
            	{"first" : "Fabian",	"last" : "Zills"},
            	{"first" : "Moritz René",	"last" : "Schäfer"},
            	{"first" : "Nico",	"last" : "Segreto"},
            	{"first" : "Johannes",	"last" : "Kästner"},
            	{"first" : "Christian",	"last" : "Holm"},
            	{"first" : "Samuel",	"last" : "Tovey"}
         ],
         "volume": "128","pages": "3662-3676",
         "doi" : "10.1021/acs.jpcb.3c07187",
         
         "bibtexKey": "zil24"

      }
	  
   ]
}