Hydration of a cationic amide group: a ZEKE spectroscopic...

Hydration of a cationic amide group: a ZEKE spectroscopic study of trans-formanilide–H2OElectronic supplementary information (ESI) available: Ab initio CASSCF/cc-pVDZ geometry parameters of t-FA–H2ONH in the S0, S1 and D0 states (Table S1), CASSCF/cc-pVDZ charges of t-FA–H2ONH in the S0, S1 and D0 states (Table S2), CASSCF/cc-pVDZ harmonic frequencies for the S0, S1 and D0 of t-FA–H2ONH up to 1000 cm–1 (Table S3). See http://www.rsc.org/suppdata/cp/b2/b200125j/

Ullrich, Susanne, Tong, Xin, Tarczay, György, Dessent, Caroline E. H., Müller-Dethlefs, Klaus
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Volume:
4
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b200125j
Date:
June, 2002
File:
PDF, 305 KB
english, 2002
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