Quantum calculations in solution of energies, structures and properties with a domain decomposition polarizable continuum model release_rev_1ab9cd60-d24a-4eee-ae07-98eab4255662

by Michele Nottoli, Benjamin Stamm, Giovanni Scalmani, Filippo Lipparini

Extra Metadata (raw JSON)

crossref.alternative-id ['10.1021/acs.jctc.9b00640']
crossref.subject ['Physical and Theoretical Chemistry', 'Computer Science Applications']
crossref.type journal-article

Entity Metadata (schema)

abstracts []
container {'state': 'active', 'ident': 'z2ruvhjfujanbnydakuxtjslca', 'revision': '737e76ef-4845-4024-8550-c5134f6a5189', 'redirect': None, 'extra': {'abbrev': 'J Chem Theory Comput', 'country': 'us', 'ezb': {'color': 'red', 'ezb_id': '48654'}, 'issne': '1549-9626', 'issnp': '1549-9618', 'kbart': {'portico': {'year_spans': [[2005, 2018]]}}, 'sherpa_romeo': {'color': 'white'}, 'urls': ['https://pubs.acs.org/journal/jctcce', 'http://pubs.acs.org/journals/jctcce/index.html']}, 'edit_extra': None, 'name': 'Journal of Chemical Theory and Computation', 'container_type': 'journal', 'publisher': 'American Chemical Society', 'issnl': '1549-9618', 'wikidata_qid': 'Q1768377'}
container_id z2ruvhjfujanbnydakuxtjslca
contribs [{'index': 0, 'creator_id': None, 'creator': None, 'raw_name': 'Michele Nottoli', 'given_name': 'Michele', 'surname': 'Nottoli', 'role': 'author', 'raw_affiliation': None, 'extra': {'seq': 'first'}}, {'index': 1, 'creator_id': None, 'creator': None, 'raw_name': 'Benjamin Stamm', 'given_name': 'Benjamin', 'surname': 'Stamm', 'role': 'author', 'raw_affiliation': None, 'extra': None}, {'index': 2, 'creator_id': None, 'creator': None, 'raw_name': 'Giovanni Scalmani', 'given_name': 'Giovanni', 'surname': 'Scalmani', 'role': 'author', 'raw_affiliation': None, 'extra': None}, {'index': 3, 'creator_id': None, 'creator': None, 'raw_name': 'Filippo Lipparini', 'given_name': 'Filippo', 'surname': 'Lipparini', 'role': 'author', 'raw_affiliation': None, 'extra': None}]
edit_extra
ext_ids {'doi': '10.1021/acs.jctc.9b00640', 'wikidata_qid': None, 'isbn13': None, 'pmid': None, 'pmcid': None, 'core': None, 'arxiv': None, 'jstor': None, 'ark': None, 'mag': None}
files
filesets
ident
issue
language en
license_slug
number
original_title
pages
publisher American Chemical Society (ACS)
redirect
refs []
release_date 2019-09-11
release_stage published
release_type article-journal
release_year 2019
revision 1ab9cd60-d24a-4eee-ae07-98eab4255662
state
subtitle
title Quantum calculations in solution of energies, structures and properties with a domain decomposition polarizable continuum model
version
volume
webcaptures
withdrawn_date
withdrawn_status
withdrawn_year
work_id kvwhrffuarh6zegg5ukexteupa