Matches in SemOpenAlex for { <https://semopenalex.org/work/W4322758524> ?p ?o ?g. }
- W4322758524 endingPage "5908" @default.
- W4322758524 startingPage "5899" @default.
- W4322758524 abstract "We present an intuitive and general analytical approximation estimating the energy of covalent single and double bonds between participating atoms in terms of their respective nuclear charges with just three parameters, [EAB ≈ a - bZAZB + c(ZA7/3 + ZB7/3) ]. The functional form of our expression models an alchemical atomic energy decomposition between participating atoms A and B. After calibration, reasonably accurate bond dissociation energy estimates are obtained for hydrogen-saturated diatomics composed of p-block elements coming from the same row 2 ≤ n ≤ 4 in the periodic table. Corresponding changes in bond dissociation energies due to substitution of atom B by C can be obtained via simple formulas. While being of different functional form and origin, our model is as simple and accurate as Pauling's well-known electronegativity model. Analysis indicates that the model's response in covalent bonding to variation in nuclear charge is near-linear, which is consistent with Hammett's equation." @default.
- W4322758524 created "2023-03-03" @default.
- W4322758524 creator A5020354644 @default.
- W4322758524 creator A5065581694 @default.
- W4322758524 creator A5088793872 @default.
- W4322758524 date "2023-03-02" @default.
- W4322758524 modified "2023-10-16" @default.
- W4322758524 title "Quantum Alchemy Based Bonding Trends and Their Link to Hammett’s Equation and Pauling’s Electronegativity Model" @default.
- W4322758524 cites W1524660474 @default.
- W4322758524 cites W1531674615 @default.
- W4322758524 cites W175203742 @default.
- W4322758524 cites W1964517560 @default.
- W4322758524 cites W1967445304 @default.
- W4322758524 cites W1970900112 @default.
- W4322758524 cites W1971044734 @default.
- W4322758524 cites W1976034077 @default.
- W4322758524 cites W1981368803 @default.
- W4322758524 cites W1982952953 @default.
- W4322758524 cites W1983880766 @default.
- W4322758524 cites W1988091937 @default.
- W4322758524 cites W1989060947 @default.
- W4322758524 cites W1997560020 @default.
- W4322758524 cites W2000872531 @default.
- W4322758524 cites W2002368219 @default.
- W4322758524 cites W2006188847 @default.
- W4322758524 cites W2008048621 @default.
- W4322758524 cites W2010785223 @default.
- W4322758524 cites W2010861052 @default.
- W4322758524 cites W2012051380 @default.
- W4322758524 cites W2015271090 @default.
- W4322758524 cites W2015418962 @default.
- W4322758524 cites W2016366655 @default.
- W4322758524 cites W2029963983 @default.
- W4322758524 cites W2032084435 @default.
- W4322758524 cites W2034519399 @default.
- W4322758524 cites W2059629539 @default.
- W4322758524 cites W2070437039 @default.
- W4322758524 cites W2074640615 @default.
- W4322758524 cites W2076646674 @default.
- W4322758524 cites W2076653173 @default.
- W4322758524 cites W2077121873 @default.
- W4322758524 cites W2093762900 @default.
- W4322758524 cites W2102129778 @default.
- W4322758524 cites W2123306226 @default.
- W4322758524 cites W2143354448 @default.
- W4322758524 cites W2144189083 @default.
- W4322758524 cites W2168299072 @default.
- W4322758524 cites W2324777999 @default.
- W4322758524 cites W2412387777 @default.
- W4322758524 cites W2464223536 @default.
- W4322758524 cites W2499071604 @default.
- W4322758524 cites W2726770424 @default.
- W4322758524 cites W2749636403 @default.
- W4322758524 cites W2756519801 @default.
- W4322758524 cites W2759635967 @default.
- W4322758524 cites W2886916841 @default.
- W4322758524 cites W2907543882 @default.
- W4322758524 cites W2911997094 @default.
- W4322758524 cites W2935741399 @default.
- W4322758524 cites W2951654613 @default.
- W4322758524 cites W2954088480 @default.
- W4322758524 cites W2955673511 @default.
- W4322758524 cites W2981590019 @default.
- W4322758524 cites W3007178273 @default.
- W4322758524 cites W3011585373 @default.
- W4322758524 cites W3021620588 @default.
- W4322758524 cites W3035559885 @default.
- W4322758524 cites W3048565185 @default.
- W4322758524 cites W3049675384 @default.
- W4322758524 cites W3082823089 @default.
- W4322758524 cites W3085090411 @default.
- W4322758524 cites W3091410335 @default.
- W4322758524 cites W3099878876 @default.
- W4322758524 cites W3102659967 @default.
- W4322758524 cites W3103145119 @default.
- W4322758524 cites W3103502300 @default.
- W4322758524 cites W3105485801 @default.
- W4322758524 cites W3106646482 @default.
- W4322758524 cites W3161656186 @default.
- W4322758524 cites W3176191040 @default.
- W4322758524 cites W3185227028 @default.
- W4322758524 cites W3192643845 @default.
- W4322758524 cites W3199631386 @default.
- W4322758524 cites W3202147765 @default.
- W4322758524 cites W4255389013 @default.
- W4322758524 cites W4283369738 @default.
- W4322758524 cites W4285726249 @default.
- W4322758524 cites W4306179351 @default.
- W4322758524 cites W4306730945 @default.
- W4322758524 doi "https://doi.org/10.1021/jacs.2c13393" @default.
- W4322758524 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36862462" @default.
- W4322758524 hasPublicationYear "2023" @default.
- W4322758524 type Work @default.
- W4322758524 citedByCount "0" @default.
- W4322758524 crossrefType "journal-article" @default.
- W4322758524 hasAuthorship W4322758524A5020354644 @default.
- W4322758524 hasAuthorship W4322758524A5065581694 @default.
- W4322758524 hasAuthorship W4322758524A5088793872 @default.