Matches in SemOpenAlex for { <https://semopenalex.org/work/W2012809584> ?p ?o ?g. }
- W2012809584 endingPage "338" @default.
- W2012809584 startingPage "319" @default.
- W2012809584 abstract "The geometries and energies of syn-7-norbornenol (1) have been investigated with theoretical and experimental methods, while its epimer anti-7-norbornenol (2) has been investigated by theoretical methods only. It was found that 1 is intramolecularly hydrogen bonded and exists almost exclusively in its hydrogen bonded form, the Anti conformer. Compound 2, for which intramolecular hydrogen bonding is impossible, was found to exist as the Gauche conformer. A theoretical investigation of the model complex between methanol and ethene showed that the interaction energy is −3.1±0.1 kcal mol−1 (estimated Hartree–Fock basis set limit plus correlation contribution, not including vibrational zero point energy). Electron correlation is essential in the evaluation of the interaction energy and also for the geometry of the complex. It was found that the potential energy surface around the minimum energy structure is flat, with an almost freely rotating methanol part." @default.
- W2012809584 created "2016-06-24" @default.
- W2012809584 creator A5041503344 @default.
- W2012809584 creator A5047096288 @default.
- W2012809584 creator A5078995834 @default.
- W2012809584 date "2001-06-01" @default.
- W2012809584 modified "2023-09-26" @default.
- W2012809584 title "Inter- and intramolecular O–H⋯π hydrogen bonding in the methanol–ethene complex and syn -7-norbornenol, probed by IR, 1 H NMR and quantum chemistry" @default.
- W2012809584 cites W1500033442 @default.
- W2012809584 cites W1532275695 @default.
- W2012809584 cites W1964345321 @default.
- W2012809584 cites W1964777160 @default.
- W2012809584 cites W1973335543 @default.
- W2012809584 cites W1978999731 @default.
- W2012809584 cites W1980638439 @default.
- W2012809584 cites W1980752172 @default.
- W2012809584 cites W1982855438 @default.
- W2012809584 cites W1985412817 @default.
- W2012809584 cites W1986140753 @default.
- W2012809584 cites W1986200445 @default.
- W2012809584 cites W1988949293 @default.
- W2012809584 cites W1989781801 @default.
- W2012809584 cites W1992355914 @default.
- W2012809584 cites W1993077801 @default.
- W2012809584 cites W1993560094 @default.
- W2012809584 cites W2000975220 @default.
- W2012809584 cites W2005585243 @default.
- W2012809584 cites W2006947798 @default.
- W2012809584 cites W2009387506 @default.
- W2012809584 cites W2010210384 @default.
- W2012809584 cites W2016279190 @default.
- W2012809584 cites W2021173391 @default.
- W2012809584 cites W2021942031 @default.
- W2012809584 cites W2024305727 @default.
- W2012809584 cites W2031191831 @default.
- W2012809584 cites W2033614107 @default.
- W2012809584 cites W2034815131 @default.
- W2012809584 cites W2037964119 @default.
- W2012809584 cites W2044561559 @default.
- W2012809584 cites W2044940178 @default.
- W2012809584 cites W2048750750 @default.
- W2012809584 cites W2058052700 @default.
- W2012809584 cites W2062224482 @default.
- W2012809584 cites W2062401878 @default.
- W2012809584 cites W2064484346 @default.
- W2012809584 cites W2069006374 @default.
- W2012809584 cites W2076289951 @default.
- W2012809584 cites W2077263110 @default.
- W2012809584 cites W2078105367 @default.
- W2012809584 cites W2078608084 @default.
- W2012809584 cites W2083130263 @default.
- W2012809584 cites W2086017999 @default.
- W2012809584 cites W2093713382 @default.
- W2012809584 cites W2108463221 @default.
- W2012809584 cites W2111661494 @default.
- W2012809584 cites W2148941593 @default.
- W2012809584 cites W2154802796 @default.
- W2012809584 cites W2160714976 @default.
- W2012809584 cites W2163241351 @default.
- W2012809584 cites W2165945629 @default.
- W2012809584 cites W2165987614 @default.
- W2012809584 cites W2321382298 @default.
- W2012809584 cites W2321389547 @default.
- W2012809584 cites W2327428685 @default.
- W2012809584 cites W2329210881 @default.
- W2012809584 cites W2331500237 @default.
- W2012809584 cites W2949744800 @default.
- W2012809584 cites W4240035468 @default.
- W2012809584 cites W91458472 @default.
- W2012809584 doi "https://doi.org/10.1016/s0022-2860(01)00563-4" @default.
- W2012809584 hasPublicationYear "2001" @default.
- W2012809584 type Work @default.
- W2012809584 sameAs 2012809584 @default.
- W2012809584 citedByCount "10" @default.
- W2012809584 countsByYear W20128095842014 @default.
- W2012809584 countsByYear W20128095842015 @default.
- W2012809584 countsByYear W20128095842019 @default.
- W2012809584 crossrefType "journal-article" @default.
- W2012809584 hasAuthorship W2012809584A5041503344 @default.
- W2012809584 hasAuthorship W2012809584A5047096288 @default.
- W2012809584 hasAuthorship W2012809584A5078995834 @default.
- W2012809584 hasConcept C103319777 @default.
- W2012809584 hasConcept C112887158 @default.
- W2012809584 hasConcept C115624301 @default.
- W2012809584 hasConcept C121332964 @default.
- W2012809584 hasConcept C125277925 @default.
- W2012809584 hasConcept C147597530 @default.
- W2012809584 hasConcept C147789679 @default.
- W2012809584 hasConcept C152365726 @default.
- W2012809584 hasConcept C178790620 @default.
- W2012809584 hasConcept C185592680 @default.
- W2012809584 hasConcept C18705241 @default.
- W2012809584 hasConcept C22994065 @default.
- W2012809584 hasConcept C2779607525 @default.
- W2012809584 hasConcept C32909587 @default.
- W2012809584 hasConcept C35052450 @default.
- W2012809584 hasConcept C512968161 @default.
- W2012809584 hasConcept C53104380 @default.