{"id":"https://openalex.org/W2118187353","doi":"https://doi.org/10.1002/jcc.540141211","title":"Experiences and practical hints on using the DDRP method, illustrated by the example of the H<sub>2</sub> + H reaction","display_name":"Experiences and practical hints on using the DDRP method, illustrated by the example of the H<sub>2</sub> + H reaction","publication_year":1993,"publication_date":"1993-12-01","ids":{"openalex":"https://openalex.org/W2118187353","doi":"https://doi.org/10.1002/jcc.540141211","mag":"2118187353"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.540141211","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540141211","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5000981718","display_name":"Gy. D\u00f6m\u00f6t\u00f6r","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Gy. D\u00f6m\u00f6t\u00f6r","raw_affiliation_strings":["Institute of Physical Chemistry, Attila Jo\u0301zsef University, P.O. Box 105, H-6701 Szeged, Hungary","Institute of Physical Chemistry, Attila J\u00f3zsef University, P.O. Box 105, H\u20106701 Szeged, Hungary"],"affiliations":[{"raw_affiliation_string":"Institute of Physical Chemistry, Attila Jo\u0301zsef University, P.O. Box 105, H-6701 Szeged, Hungary","institution_ids":[]},{"raw_affiliation_string":"Institute of Physical Chemistry, Attila J\u00f3zsef University, P.O. Box 105, H\u20106701 Szeged, Hungary","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071154612","display_name":"Mikl\u00f3s B\u00e1n","orcid":"https://orcid.org/0000-0002-6275-7928"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"M.I. B\u00e1n","raw_affiliation_strings":["Institute of Physical Chemistry, Attila Jo\u0301zsef University, P.O. Box 105, H-6701 Szeged, Hungary","Institute of Physical Chemistry, Attila J\u00f3zsef University, P.O. Box 105, H\u20106701 Szeged, Hungary"],"affiliations":[{"raw_affiliation_string":"Institute of Physical Chemistry, Attila Jo\u0301zsef University, P.O. Box 105, H-6701 Szeged, Hungary","institution_ids":[]},{"raw_affiliation_string":"Institute of Physical Chemistry, Attila J\u00f3zsef University, P.O. Box 105, H\u20106701 Szeged, Hungary","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082546231","display_name":"L\u00e1szl\u00f3 L. Stach\u00f3","orcid":"https://orcid.org/0000-0001-8487-9726"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"L.L. Stach\u00f3","raw_affiliation_strings":["Bolyai Institute for Mathematics, Attila Jo\u0301zsef University, Aradi Ve\u0301rtanu\u0301k tere 1, H-6720 Szeged, Hungary","Bolyai Institute for Mathematics, Attila J\u00f3zsef University, Aradi V\u00e9rtan\u00fak tere 1, H\u20106720 Szeged, Hungary"],"affiliations":[{"raw_affiliation_string":"Bolyai Institute for Mathematics, Attila Jo\u0301zsef University, Aradi Ve\u0301rtanu\u0301k tere 1, H-6720 Szeged, Hungary","institution_ids":[]},{"raw_affiliation_string":"Bolyai Institute for Mathematics, Attila J\u00f3zsef University, Aradi V\u00e9rtan\u00fak tere 1, H\u20106720 Szeged, Hungary","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5071154612"],"corresponding_institution_ids":[],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.2458,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.77951327,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"14","issue":"12","first_page":"1491","last_page":"1497"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9930999875068665,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9898999929428101,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/path","display_name":"Path (computing)","score":0.6523958444595337},{"id":"https://openalex.org/keywords/stability","display_name":"Stability (learning theory)","score":0.546552836894989},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3991692364215851},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.3784976899623871},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3416477143764496},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3377508819103241},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3356952965259552},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.25885075330734253}],"concepts":[{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.6523958444595337},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.546552836894989},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3991692364215851},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.3784976899623871},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3416477143764496},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3377508819103241},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3356952965259552},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.25885075330734253},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/jcc.540141211","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540141211","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.5699999928474426}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":9,"referenced_works":["https://openalex.org/W313644715","https://openalex.org/W1987250045","https://openalex.org/W2051369715","https://openalex.org/W2096231249","https://openalex.org/W2105350306","https://openalex.org/W2126574039","https://openalex.org/W2163362317","https://openalex.org/W2796786199","https://openalex.org/W4253153005"],"related_works":["https://openalex.org/W1979597421","https://openalex.org/W2007980826","https://openalex.org/W4245490552","https://openalex.org/W4225152035","https://openalex.org/W2061531152","https://openalex.org/W3002753104","https://openalex.org/W2077600819","https://openalex.org/W1587224694","https://openalex.org/W2911598644","https://openalex.org/W2042127053"],"abstract_inverted_index":{"Abstract":[0],"By":[1],"using":[2],"the":[3,16,22,40,45,49,56,62,66],"dynamically":[4],"defined":[5],"reaction":[6,18,32,50],"path":[7],"(DDRP)":[8],"method":[9,41],"and":[10,53,59,68],"starting":[11],"from":[12],"various":[13],"initial":[14],"polygons,":[15],"intrinsic":[17],"coordinate":[19],"(IRC)":[20],"of":[21,39,48,61],"H":[23,26,28,30],"2":[24,31],"+":[25,29],"\u2192":[27],"has":[33],"been":[34],"calculated.":[35],"The":[36],"numerical":[37],"stability":[38,67],"is":[42],"illustrated":[43],"by":[44],"evolution":[46],"phases":[47],"path.":[51],"Techniques":[52],"experiences":[54],"on":[55,65],"parameter":[57,63],"choice":[58],"effects":[60],"values":[64],"computer":[69],"time":[70],"consumption":[71],"are":[72],"discussed.":[73],"\u00a9":[74],"John":[75],"Wiley":[76],"&amp;":[77],"Sons,":[78],"Inc.":[79]},"counts_by_year":[],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}
