Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2044324006', 'doi': 'https://doi.org/10.1002/(sici)1097-461x(1996)58:1<47::aid-qua6>3.0.co;2-y', 'title': 'Methanediol decomposition mechanisms: A study considering various ab initio approaches', 'display_name': 'Methanediol decomposition mechanisms: A study considering various ab initio approaches', 'publication_year': 1996, 'publication_date': '1996-01-01', 'ids': {'openalex': 'https://openalex.org/W2044324006', 'doi': 'https://doi.org/10.1002/(sici)1097-461x(1996)58:1<47::aid-qua6>3.0.co;2-y', 'mag': '2044324006'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1002/(sici)1097-461x(1996)58:1<47::aid-qua6>3.0.co;2-y', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S167203149', 'display_name': 'International Journal of Quantum Chemistry', 'issn_l': '0020-7608', 'issn': ['0020-7608', '1097-461X'], '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': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5114838293', 'display_name': 'Stanislav B�hm', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I9073902', 'display_name': 'University of Chemistry and Technology, Prague', 'ror': 'https://ror.org/05ggn0a85', 'country_code': 'CZ', 'type': 'education', 'lineage': ['https://openalex.org/I9073902']}], 'countries': ['CZ'], 'is_corresponding': False, 'raw_author_name': 'Stanislav B�hm', 'raw_affiliation_strings': ['Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, The Czech Republic'], 'affiliations': [{'raw_affiliation_string': 'Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, The Czech Republic', 'institution_ids': ['https://openalex.org/I9073902']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5089847122', 'display_name': 'Diana Antipova', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I9073902', 'display_name': 'University of Chemistry and Technology, Prague', 'ror': 'https://ror.org/05ggn0a85', 'country_code': 'CZ', 'type': 'education', 'lineage': ['https://openalex.org/I9073902']}], 'countries': ['CZ'], 'is_corresponding': False, 'raw_author_name': 'Diana Antipova', 'raw_affiliation_strings': ['Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, The Czech Republic'], 'affiliations': [{'raw_affiliation_string': 'Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, The Czech Republic', 'institution_ids': ['https://openalex.org/I9073902']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5012387853', 'display_name': 'Josef Kuthan', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I9073902', 'display_name': 'University of Chemistry and Technology, Prague', 'ror': 'https://ror.org/05ggn0a85', 'country_code': 'CZ', 'type': 'education', 'lineage': ['https://openalex.org/I9073902']}], 'countries': ['CZ'], 'is_corresponding': False, 'raw_author_name': 'Josef Kuthan', 'raw_affiliation_strings': ['Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, The Czech Republic'], 'affiliations': [{'raw_affiliation_string': 'Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, The Czech Republic', 'institution_ids': ['https://openalex.org/I9073902']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 4330, 'currency': 'USD', 'value_usd': 4330, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 0.487, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 18, 'citation_normalized_percentile': {'value': 0.686443, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 83, 'max': 84}, 'biblio': {'volume': '58', 'issue': '1', 'first_page': '47', 'last_page': '55'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10075', 'display_name': 'Atmospheric chemistry and aerosols', 'score': 0.9927, 'subfield': {'id': 'https://openalex.org/subfields/1902', 'display_name': 'Atmospheric Science'}, 'field': {'id': 'https://openalex.org/fields/19', 'display_name': 'Earth and Planetary Sciences'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T10075', 'display_name': 'Atmospheric chemistry and aerosols', 'score': 0.9927, 'subfield': {'id': 'https://openalex.org/subfields/1902', 'display_name': 'Atmospheric Science'}, 'field': {'id': 'https://openalex.org/fields/19', 'display_name': 'Earth and Planetary Sciences'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10002', 'display_name': 'Advanced Chemical Physics Studies', 'score': 0.988, '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/T11947', 'display_name': 'Molten salt chemistry and electrochemical processes', 'score': 0.9852, 'subfield': {'id': 'https://openalex.org/subfields/1507', 'display_name': 'Fluid Flow and Transfer Processes'}, 'field': {'id': 'https://openalex.org/fields/15', 'display_name': 'Chemical Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/transition-state', 'display_name': 'Transition state', 'score': 0.5976026}], 'concepts': [{'id': 'https://openalex.org/C2781442258', 'wikidata': 'https://www.wikidata.org/wiki/Q46310', 'display_name': 'Ab initio', 'level': 2, 'score': 0.83174753}, {'id': 'https://openalex.org/C124681953', 'wikidata': 'https://www.wikidata.org/wiki/Q339062', 'display_name': 'Decomposition', 'level': 2, 'score': 0.7762278}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.7345385}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.65299207}, {'id': 'https://openalex.org/C89031862', 'wikidata': 'https://www.wikidata.org/wiki/Q906964', 'display_name': 'Transition state', 'level': 3, 'score': 0.5976026}, {'id': 'https://openalex.org/C183971685', 'wikidata': 'https://www.wikidata.org/wiki/Q547605', 'display_name': 'Ab initio quantum chemistry methods', 'level': 3, 'score': 0.4975882}, {'id': 'https://openalex.org/C97355855', 'wikidata': 'https://www.wikidata.org/wiki/Q11473', 'display_name': 'Thermodynamics', 'level': 1, 'score': 0.4344906}, {'id': 'https://openalex.org/C147789679', 'wikidata': 'https://www.wikidata.org/wiki/Q11372', 'display_name': 'Physical chemistry', 'level': 1, 'score': 0.4052593}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.124546915}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.102146626}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.091110766}, {'id': 'https://openalex.org/C161790260', 'wikidata': 'https://www.wikidata.org/wiki/Q82264', 'display_name': 'Catalysis', 'level': 2, 'score': 0.077046186}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1002/(sici)1097-461x(1996)58:1<47::aid-qua6>3.0.co;2-y', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S167203149', 'display_name': 'International Journal of Quantum Chemistry', 'issn_l': '0020-7608', 'issn': ['0020-7608', '1097-461X'], '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': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'id': 'https://metadata.un.org/sdg/7', 'score': 0.87, 'display_name': 'Affordable and clean energy'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 14, 'referenced_works': ['https://openalex.org/W1979287993', 'https://openalex.org/W1982562495', 'https://openalex.org/W2002558252', 'https://openalex.org/W2004319280', 'https://openalex.org/W2031745070', 'https://openalex.org/W2039948490', 'https://openalex.org/W2073232791', 'https://openalex.org/W2076963600', 'https://openalex.org/W2085812849', 'https://openalex.org/W2099713813', 'https://openalex.org/W2155358697', 'https://openalex.org/W2204381832', 'https://openalex.org/W2949110565', 'https://openalex.org/W2996944058'], 'related_works': ['https://openalex.org/W800251536', 'https://openalex.org/W4287877216', 'https://openalex.org/W2595508481', 'https://openalex.org/W240981405', 'https://openalex.org/W2071676860', 'https://openalex.org/W2065301963', 'https://openalex.org/W2063391978', 'https://openalex.org/W2025274054', 'https://openalex.org/W1995432846', 'https://openalex.org/W1967922286'], 'abstract_inverted_index': {'The': [0], 'alternative': [1], 'decomposition': [2], 'reactions': [3], 'CH2(OH)2': [4, 10], '→': [5, 13], 'CH2O': [6, 14], '+': [7, 11, 15], 'H2O': [8, 12], 'and': [9, 32, 37, 48], '2H2O': [16], 'are': [17, 41], 'investigated': [18], 'using': [19], 'the': [20, 26], 'semiempirical': [21], 'PM3': [22], 'as': [23, 25], 'well': [24], 'ab': [27], 'initio': [28], 'HF/3-21G,': [29], 'HF/6-31G,': [30], 'HF/6-31G**,': [31], 'MP2/6-31G**': [33], 'calculations.': [34], 'Reactants,': [35], 'products,': [36], 'appropriate': [38], 'transition': [39], 'states': [40], 'located': [42], 'on': [43], 'corresponding': [44], 'potential': [45], 'energy': [46], 'surfaces': [47], 'compared': [49], 'with': [50], 'those': [51], 'reported': [52], 'in': [53], 'earlier': [54], 'studies.': [55], '©': [56], '1996': [57], 'John': [58], 'Wiley': [59], '&': [60], 'Sons,': [61], 'Inc.': [62]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2044324006', 'counts_by_year': [{'year': 2023, 'cited_by_count': 1}, {'year': 2021, 'cited_by_count': 1}, {'year': 2020, 'cited_by_count': 2}, {'year': 2019, 'cited_by_count': 1}, {'year': 2017, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 2}, {'year': 2015, 'cited_by_count': 2}, {'year': 2014, 'cited_by_count': 2}, {'year': 2013, 'cited_by_count': 1}], 'updated_date': '2024-12-20T03:48:44.275542', 'created_date': '2016-06-24'}