𝔖 Bobbio Scriptorium

✦ LIBER ✦

Quantum free energies of the conformers of glycine on an ab initio potential energy surfaceElectronic supplementary information (ESI) available: Calculated harmonic frequencies of the glycine conformers. See http://www.rsc.org/suppdata/cp/b3/b314644h/

✍ Scribed by Miller, III, Thomas F.; Clary, David C.

Book ID: 121481514
Publisher: Royal Society of Chemistry
Year: 2004
Tongue: English
Weight: 417 KB
Volume: 6
Category: Article
ISSN: 1463-9076
DOI: 10.1039/B314644H

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📜 SIMILAR VOLUMES

Potential energy and free energy surface

Potential energy and free energy surfaces of the formic acid dimer: Correlated ab initio calculations and molecular dynamics simulationsElectronic supplementary information (ESI) available: Optimised geometries of the structures in Tables 1 and 2. See http://www.rsc.org/suppdata/cp/b1/b110872g/

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Molecular structure and infrared spectra

Molecular structure and infrared spectra of dimethyl fumarateElectronic supplementary information (ESI) available: Definition of internal symmetry coordinates, calculated frequencies, IR intensities, Raman activities, potential energy distributions and optimized conformers I, II and III. See http://www.rsc.org/suppdata/cp/b2/b203246p/

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Hydrogen storage by physisorption on nan

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Features of the potential energy surface

Features of the potential energy surface for the reaction of OH radical with acetoneElectronic supplementary information (ESI) available: Harmonic vibrational frequences and MP2 structural parameters for intermolecular complexes, reactants, transition states and reaction products. See http://www.rsc.org/suppdata/cp/b2/b210247c/

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