Publication Information

{'id': 'https://openalex.org/W808140566', 'doi': None, 'title': 'Ab initio SCF Calculations of Potential Energy Surfaces for the Proton Transfer in a Formamide Dimer', 'display_name': 'Ab initio SCF Calculations of Potential Energy Surfaces for the Proton Transfer in a Formamide Dimer', 'publication_year': 1991, 'publication_date': '1991-01-01', 'ids': {'openalex': 'https://openalex.org/W808140566', 'mag': '808140566'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'http://www.koreascience.or.kr/article/ArticleFullRecord.jsp?cn=JCGMCS_1991_v12n1_22', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S77209346', 'display_name': 'Bulletin of the Korean Chemical Society', 'issn_l': '0253-2964', 'issn': ['0253-2964', '1229-5949'], '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': [], '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/A5043856533', 'display_name': 'Young-Shik Kong', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'Young-Shik Kong', 'raw_affiliation_strings': [], 'affiliations': []}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5108507041', 'display_name': 'Mu‐Shik Jhon', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'Mu-Shik Jhon', 'raw_affiliation_strings': [], 'affiliations': []}], 'institution_assertions': [], 'countries_distinct_count': 0, 'institutions_distinct_count': 0, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 3140, 'currency': 'USD', 'value_usd': 3140, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 0.0, 'has_fulltext': False, 'cited_by_count': 1, 'citation_normalized_percentile': {'value': 0.240876, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 53, 'max': 61}, 'biblio': {'volume': '12', 'issue': '1', 'first_page': '22', 'last_page': '26'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10002', 'display_name': 'Advanced Chemical Physics Studies', 'score': 0.999, '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': 0.999, '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/T11129', 'display_name': 'Photochemistry and Electron Transfer Studies', 'score': 0.9982, 'subfield': {'id': 'https://openalex.org/subfields/1606', 'display_name': 'Physical and Theoretical Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10913', 'display_name': 'Molecular Junctions and Nanostructures', 'score': 0.996, 'subfield': {'id': 'https://openalex.org/subfields/2208', 'display_name': 'Electrical and Electronic Engineering'}, 'field': {'id': 'https://openalex.org/fields/22', 'display_name': 'Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/gaussian-orbital', 'display_name': 'Gaussian orbital', 'score': 0.47143}, {'id': 'https://openalex.org/keywords/potential-energy-surface', 'display_name': 'Potential energy surface', 'score': 0.41291803}], 'concepts': [{'id': 'https://openalex.org/C2779546866', 'wikidata': 'https://www.wikidata.org/wiki/Q531306', 'display_name': 'Dimer', 'level': 2, 'score': 0.8574885}, {'id': 'https://openalex.org/C2778270854', 'wikidata': 'https://www.wikidata.org/wiki/Q283917', 'display_name': 'Formamide', 'level': 2, 'score': 0.8393848}, {'id': 'https://openalex.org/C2781442258', 'wikidata': 'https://www.wikidata.org/wiki/Q46310', 'display_name': 'Ab initio', 'level': 2, 'score': 0.8083564}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.6211664}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.6040878}, {'id': 'https://openalex.org/C54516573', 'wikidata': 'https://www.wikidata.org/wiki/Q2294', 'display_name': 'Proton', 'level': 2, 'score': 0.5746232}, {'id': 'https://openalex.org/C111233374', 'wikidata': 'https://www.wikidata.org/wiki/Q334640', 'display_name': 'Tautomer', 'level': 2, 'score': 0.55104154}, {'id': 'https://openalex.org/C84551667', 'wikidata': 'https://www.wikidata.org/wiki/Q155640', 'display_name': 'Potential energy', 'level': 2, 'score': 0.4981792}, {'id': 'https://openalex.org/C183971685', 'wikidata': 'https://www.wikidata.org/wiki/Q547605', 'display_name': 'Ab initio quantum chemistry methods', 'level': 3, 'score': 0.48763123}, {'id': 'https://openalex.org/C65956243', 'wikidata': 'https://www.wikidata.org/wiki/Q2664086', 'display_name': 'Basis set', 'level': 3, 'score': 0.47366887}, {'id': 'https://openalex.org/C2778529930', 'wikidata': 'https://www.wikidata.org/wiki/Q3355209', 'display_name': 'Gaussian orbital', 'level': 3, 'score': 0.47143}, {'id': 'https://openalex.org/C125277925', 'wikidata': 'https://www.wikidata.org/wiki/Q2572687', 'display_name': 'Potential energy surface', 'level': 3, 'score': 0.41291803}, {'id': 'https://openalex.org/C41999313', 'wikidata': 'https://www.wikidata.org/wiki/Q489328', 'display_name': 'Molecular physics', 'level': 1, 'score': 0.3582917}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.32681042}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.17710412}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.1471965}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.102683514}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.08839247}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.08272344}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.046658576}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'http://www.koreascience.or.kr/article/ArticleFullRecord.jsp?cn=JCGMCS_1991_v12n1_22', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S77209346', 'display_name': 'Bulletin of the Korean Chemical Society', 'issn_l': '0253-2964', 'issn': ['0253-2964', '1229-5949'], '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': [{'display_name': 'Affordable and clean energy', 'score': 0.89, 'id': 'https://metadata.un.org/sdg/7'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 0, 'referenced_works': [], 'related_works': ['https://openalex.org/W2996457508', 'https://openalex.org/W2518694017', 'https://openalex.org/W2130111293', 'https://openalex.org/W2104547337', 'https://openalex.org/W2074096660', 'https://openalex.org/W2073123059', 'https://openalex.org/W2072157275', 'https://openalex.org/W2063606543', 'https://openalex.org/W2053409659', 'https://openalex.org/W2042248098', 'https://openalex.org/W2041894527', 'https://openalex.org/W2024781059', 'https://openalex.org/W2023022525', 'https://openalex.org/W2014940959', 'https://openalex.org/W2007407272', 'https://openalex.org/W2006995883', 'https://openalex.org/W1976353559', 'https://openalex.org/W1966842782', 'https://openalex.org/W1963611537', 'https://openalex.org/W1667779756'], 'abstract_inverted_index': {'Potential': [0], 'energy': [1, 53], 'surfaces': [2, 54], 'for': [3, 34], 'the': [4, 47, 51], 'proton': [5], 'transfer': [6], 'in': [7], 'a': [8, 35], 'formamide': [9, 36], 'dimer': [10, 37], 'have': [11, 29], 'been': [12, 30], 'obtained': [13], 'by': [14], 'ab': [15], 'initio': [16], 'SCF': [17], 'calculations': [18], 'with': [19, 43], 'STO-3G,': [20], '3-21G,': [21], 'and': [22, 26, 38], '4-31G': [23], 'basis': [24, 44], 'sets': [25], 'several': [27], 'features': [28, 49], 'discussed.': [31], 'Energy': [32], 'minima': [33], 'its': [39], 'tautomer': [40], 'are': [41, 55], 'varied': [42], 'sets.': [45], 'But': [46], 'general': [48], 'of': [50], 'potential': [52], 'similar': [56], 'among': [57], 'them.': [58]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W808140566', 'counts_by_year': [], 'updated_date': '2024-12-14T15:46:28.882857', 'created_date': '2016-06-24'}