Zobrazeno 1 - 10
of 49
pro vyhledávání: '"WILLIAM O. GEORGE"'
Transformative leadership emerges as the beacon guiding P-12 schools and higher education institutions through the intricacies of necessary change. Leaders must confront the perennial challenges faced by educational institutions head-on, equipped wit
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 910:61-68
Calculations were carried out at the restricted and unrestricted B3LYP/6-311++G(d,p) and B3LYP/EPR-II levels for two conformers (1 and 2) of l -ascorbic acid and their respective oxidation products to di- and monodehydroascorbates. For the didehydroa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ea0ce119b30f56260b76669e0c2c6d22
https://doi.org/10.1016/j.theochem.2009.06.016
https://doi.org/10.1016/j.theochem.2009.06.016
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 776:33-39
Theoretical calculations (DFT and ab initio) are reported for the hydroxides of trimethylammonium, tetramethylammonium, trimethylethylammonium, choline and acetylcholine and the water complexes of the ylidic forms of these quaternary nitrogen compoun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90f0632ca835551ed5596403939b264d
https://doi.org/10.1016/j.theochem.2006.08.016
https://doi.org/10.1016/j.theochem.2006.08.016
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 730:185-197
Theoretical calculations (DFT, MP2) are reported for up to four sets of reaction products of trimethylphosphine, (CH 3 ) 3 P, each with H 2 O, HCl and HF together with DFT calculations on up to three sets of reaction products of substituted phosphoni
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f706db70aba1c02539dac22d8f111561
https://doi.org/10.1016/j.theochem.2005.06.026
https://doi.org/10.1016/j.theochem.2005.06.026
Publikováno v:
Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences. 359:1611-1629
Compounds of the type ROH are reviewed in terms of hydrogenbonding interactions with special reference to R = H, CH3 and C2H5. The existence of hydrogen bonding in biological, climatic and cosmic p...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a36515511bd6790f9dd3a7c8a61f582
https://doi.org/10.1098/rsta.2001.0868
https://doi.org/10.1098/rsta.2001.0868
Publikováno v:
Journal of Molecular Structure. :281-296
Assignments of vibrational spectra for formaldehyde, acetaldehyde and acetone are briefly reviewed and ab initio Gaussian calculations reported for both the Hartree–Fock and the Density Functional Theory method, B3LYP, using ten basis sets up to 6-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2eb7b1414633d75cfa31b9fe2beb978c
https://doi.org/10.1016/s0022-2860(00)00391-4
https://doi.org/10.1016/s0022-2860(00)00391-4
Publikováno v:
Physical Chemistry Chemical Physics. 2:4910-4917
Ab initio calculations are reported for HCl complexes of CH2CO, CH3HCO, (CH3)2CO, HCN, CH3CN, C2H5CN, HCOCN and CH3COCN. Comparison with experimentally determined values of hydrogen bond energy, HCl wavenumber shifts and bond lengths for the four sma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca5afd2121d05063fc7a91bd9bd37c0a
https://doi.org/10.1039/b006028n
https://doi.org/10.1039/b006028n
Publikováno v:
Journal of the Chemical Society, Faraday Transactions. 94:2701-2708
The IR spectra of ethanol as a dilute solution in CCl4 has been measured between 3100 and 4000 cm-1. The integrated absorption coefficient of the monomeric O–H stretching mode is calculated as (2.183±0.019)×104 m mol-1 and the proportion of the c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05fef2dab10fd4b0649bdb5a05039a5c
https://doi.org/10.1039/a803929a
https://doi.org/10.1039/a803929a
Publikováno v:
Journal of the Chemical Society, Faraday Transactions. 93:3611-3618
The IR spectra of methanol as a dilute solution in CCl4 and in the vapour phase have been measured between 2500 and 4000 cm-1 and between 1000 and 1100 cm-1 in order to better understand the nature of the hydrogen bonding equilibria present. The inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b4955312984057e45222f68ca9126d9a
https://doi.org/10.1039/a702176c
https://doi.org/10.1039/a702176c
Publikováno v:
Industry and Higher Education. 8:58-61
A massive exercise in the measurement of the level of research on a five-point scale within 72 subject areas or units of assessment and within 172 higher education institutions was carried out in 1992 throughout the UK by the Universities Funding Cou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d5339a7bdf8834265c003b219b9284a
https://doi.org/10.1177/095042229400800108
https://doi.org/10.1177/095042229400800108