Matches in SemOpenAlex for { <https://semopenalex.org/work/W2892270636> ?p ?o ?g. }
- W2892270636 endingPage "7756" @default.
- W2892270636 startingPage "7748" @default.
- W2892270636 abstract "We discuss two main approaches to decompose the Møller-Plesset perturbation theory molecular energies into atomic contributions within the interacting quantum atoms (IQA) formalism, as implemented in the programs Morphy and AIMAll. For this purpose, the so-called intraatomic energies (also known as self-energies) of a representative set of 55 small molecules are compared with each other. The origin of the possible discrepancies between both approaches is analyzed, and linear models linking the two approaches are proposed for each atom type." @default.
- W2892270636 created "2018-09-27" @default.
- W2892270636 creator A5017358836 @default.
- W2892270636 creator A5037698489 @default.
- W2892270636 creator A5038664509 @default.
- W2892270636 creator A5055569704 @default.
- W2892270636 creator A5078177431 @default.
- W2892270636 date "2018-09-12" @default.
- W2892270636 modified "2023-10-18" @default.
- W2892270636 title "Decomposition of Møller–Plesset Energies within the Quantum Theory of Atoms-in-Molecules" @default.
- W2892270636 cites W1524525881 @default.
- W2892270636 cites W1975485211 @default.
- W2892270636 cites W1984467192 @default.
- W2892270636 cites W1985583109 @default.
- W2892270636 cites W1995529403 @default.
- W2892270636 cites W1999574040 @default.
- W2892270636 cites W2004095105 @default.
- W2892270636 cites W2010785223 @default.
- W2892270636 cites W2011314249 @default.
- W2892270636 cites W2016401290 @default.
- W2892270636 cites W2036942028 @default.
- W2892270636 cites W2043932978 @default.
- W2892270636 cites W2044940178 @default.
- W2892270636 cites W2046162302 @default.
- W2892270636 cites W2050890227 @default.
- W2892270636 cites W2057240944 @default.
- W2892270636 cites W2063592080 @default.
- W2892270636 cites W2071085919 @default.
- W2892270636 cites W2071955309 @default.
- W2892270636 cites W2079325065 @default.
- W2892270636 cites W2084168607 @default.
- W2892270636 cites W2084627905 @default.
- W2892270636 cites W2087984561 @default.
- W2892270636 cites W2088955664 @default.
- W2892270636 cites W2104254324 @default.
- W2892270636 cites W2106731465 @default.
- W2892270636 cites W2111067681 @default.
- W2892270636 cites W2128496267 @default.
- W2892270636 cites W2136448305 @default.
- W2892270636 cites W2145065557 @default.
- W2892270636 cites W2145406765 @default.
- W2892270636 cites W2163404851 @default.
- W2892270636 cites W2165493771 @default.
- W2892270636 cites W2191254303 @default.
- W2892270636 cites W2267630445 @default.
- W2892270636 cites W2269242137 @default.
- W2892270636 cites W2315164312 @default.
- W2892270636 cites W2328657194 @default.
- W2892270636 cites W2333086966 @default.
- W2892270636 cites W2338378669 @default.
- W2892270636 cites W2418307785 @default.
- W2892270636 cites W2468183135 @default.
- W2892270636 cites W2481483613 @default.
- W2892270636 cites W2519254945 @default.
- W2892270636 cites W2606067705 @default.
- W2892270636 cites W2620228294 @default.
- W2892270636 cites W2731581585 @default.
- W2892270636 cites W2747741934 @default.
- W2892270636 cites W2760024123 @default.
- W2892270636 cites W2761863352 @default.
- W2892270636 cites W2763121279 @default.
- W2892270636 cites W2769775068 @default.
- W2892270636 cites W3099816699 @default.
- W2892270636 cites W4239378687 @default.
- W2892270636 doi "https://doi.org/10.1021/acs.jpca.8b05357" @default.
- W2892270636 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30207724" @default.
- W2892270636 hasPublicationYear "2018" @default.
- W2892270636 type Work @default.
- W2892270636 sameAs 2892270636 @default.
- W2892270636 citedByCount "9" @default.
- W2892270636 countsByYear W28922706362020 @default.
- W2892270636 countsByYear W28922706362022 @default.
- W2892270636 countsByYear W28922706362023 @default.
- W2892270636 crossrefType "journal-article" @default.
- W2892270636 hasAuthorship W2892270636A5017358836 @default.
- W2892270636 hasAuthorship W2892270636A5037698489 @default.
- W2892270636 hasAuthorship W2892270636A5038664509 @default.
- W2892270636 hasAuthorship W2892270636A5055569704 @default.
- W2892270636 hasAuthorship W2892270636A5078177431 @default.
- W2892270636 hasBestOaLocation W28922706362 @default.
- W2892270636 hasConcept C121332964 @default.
- W2892270636 hasConcept C142362112 @default.
- W2892270636 hasConcept C149635348 @default.
- W2892270636 hasConcept C153349607 @default.
- W2892270636 hasConcept C174256460 @default.
- W2892270636 hasConcept C178790620 @default.
- W2892270636 hasConcept C184779094 @default.
- W2892270636 hasConcept C185592680 @default.
- W2892270636 hasConcept C2991951333 @default.
- W2892270636 hasConcept C3253136 @default.
- W2892270636 hasConcept C32909587 @default.
- W2892270636 hasConcept C41008148 @default.
- W2892270636 hasConcept C558565934 @default.
- W2892270636 hasConcept C58312451 @default.
- W2892270636 hasConcept C62520636 @default.
- W2892270636 hasConcept C63385615 @default.
- W2892270636 hasConcept C73301696 @default.
- W2892270636 hasConcept C84114770 @default.