FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1585365932> ?p ?o ?g. }

• W1585365932 endingPage "308" @default.
• W1585365932 startingPage "271" @default.
• W1585365932 abstract "Quantum Theory of Atoms in Molecule (QTAIM) started off as a theory of energy partitioning, interpreting a chemical bond as a result of mononuclear parts interacting with each other. These parts are topological atoms, which are defined by the topology of the electron density as subspaces with a well-defined kinetic energy of their own. Shortly after this was established, a second topological object was observed called a bond path. When taken together as a molecular graph, this object mirrored the standard Lewis diagram of covalent bonding. With a bond path is associated a bond critical point, which the community then interpreted as the signature of a chemical bond, even in cases where a Lewis diagram does not exist. Eventually, some concerns arose when curious and possibly spurious bond critical points appeared in the context of non-covalent interactions, or when traditional chemical interpretation pronounced repulsive interactions. The ultimate solution to the debate caused by these concerns is expected to come from a return to energy partitioning, but then beyond the original kinetic energy analysis and the atomic virial theorem that QTAIM started with. A body of work, under the name of Interacting Quantum Atoms (IQA), has already provided a modern reinterpretation of the bond critical point. In particular, the exchange-correlation energy between topological atoms A and B, denoted Vxc(A, B), proves to be a reliable and physically well-founded measure of covalent-like interaction energy. More importantly, it is an instrument to have a molecular graph, which is the QTAIM-equivalent of a bonding diagram, draw itself." @default.
• W1585365932 created "2016-06-24" @default.
• W1585365932 creator A5078177431 @default.
• W1585365932 date "2014-05-16" @default.
• W1585365932 modified "2023-10-12" @default.
• W1585365932 title "The QTAIM Perspective of Chemical Bonding" @default.
• W1585365932 cites W1605935027 @default.
• W1585365932 cites W1650728208 @default.
• W1585365932 cites W1843226502 @default.
• W1585365932 cites W192303080 @default.
• W1585365932 cites W1969711434 @default.
• W1585365932 cites W1969774124 @default.
• W1585365932 cites W1970900112 @default.
• W1585365932 cites W1972508601 @default.
• W1585365932 cites W1973057740 @default.
• W1585365932 cites W1980028348 @default.
• W1585365932 cites W1981285913 @default.
• W1585365932 cites W1983436447 @default.
• W1585365932 cites W1984733667 @default.
• W1585365932 cites W1987806874 @default.
• W1585365932 cites W1988877143 @default.
• W1585365932 cites W1990670649 @default.
• W1585365932 cites W1991127835 @default.
• W1585365932 cites W1991731738 @default.
• W1585365932 cites W1991987605 @default.
• W1585365932 cites W1994664541 @default.
• W1585365932 cites W1995918968 @default.
• W1585365932 cites W1998275943 @default.
• W1585365932 cites W1999260647 @default.
• W1585365932 cites W1999913770 @default.
• W1585365932 cites W2004422340 @default.
• W1585365932 cites W2004568368 @default.
• W1585365932 cites W2008955388 @default.
• W1585365932 cites W2012113925 @default.
• W1585365932 cites W2012720925 @default.
• W1585365932 cites W2013628555 @default.
• W1585365932 cites W2013711359 @default.
• W1585365932 cites W2017985925 @default.
• W1585365932 cites W2018496792 @default.
• W1585365932 cites W2018919106 @default.
• W1585365932 cites W2019046641 @default.
• W1585365932 cites W2026553022 @default.
• W1585365932 cites W2029083068 @default.
• W1585365932 cites W2029240684 @default.
• W1585365932 cites W2032070236 @default.
• W1585365932 cites W2032440360 @default.
• W1585365932 cites W2033603944 @default.
• W1585365932 cites W2037193776 @default.
• W1585365932 cites W2037930032 @default.
• W1585365932 cites W2038583777 @default.
• W1585365932 cites W2038767330 @default.
• W1585365932 cites W2039009309 @default.
• W1585365932 cites W2040453266 @default.
• W1585365932 cites W2040892840 @default.
• W1585365932 cites W2041068987 @default.
• W1585365932 cites W2042594445 @default.
• W1585365932 cites W2046162302 @default.
• W1585365932 cites W2047704631 @default.
• W1585365932 cites W2051469879 @default.
• W1585365932 cites W2051981596 @default.
• W1585365932 cites W2053214987 @default.
• W1585365932 cites W2055641523 @default.
• W1585365932 cites W2056700384 @default.
• W1585365932 cites W2057454882 @default.
• W1585365932 cites W2058221878 @default.
• W1585365932 cites W2059241296 @default.
• W1585365932 cites W2060113763 @default.
• W1585365932 cites W2061097362 @default.
• W1585365932 cites W2064734523 @default.
• W1585365932 cites W2067694468 @default.
• W1585365932 cites W2069114244 @default.
• W1585365932 cites W2069561705 @default.
• W1585365932 cites W2070690583 @default.
• W1585365932 cites W2073389930 @default.
• W1585365932 cites W2074190083 @default.
• W1585365932 cites W2074836128 @default.
• W1585365932 cites W2081504104 @default.
• W1585365932 cites W2084052881 @default.
• W1585365932 cites W2087984561 @default.
• W1585365932 cites W2088113445 @default.
• W1585365932 cites W2093880244 @default.
• W1585365932 cites W2093914988 @default.
• W1585365932 cites W2103745564 @default.
• W1585365932 cites W2106447982 @default.
• W1585365932 cites W2115293926 @default.
• W1585365932 cites W2117074047 @default.
• W1585365932 cites W2125696297 @default.
• W1585365932 cites W2129034250 @default.
• W1585365932 cites W2134594910 @default.
• W1585365932 cites W2135628084 @default.
• W1585365932 cites W2141479472 @default.
• W1585365932 cites W2141734005 @default.
• W1585365932 cites W2163207833 @default.
• W1585365932 cites W2163844500 @default.
• W1585365932 cites W2167265014 @default.
• W1585365932 cites W2331356458 @default.
• W1585365932 cites W2483548563 @default.
• W1585365932 cites W2951847805 @default.

• next