✦ LIBER ✦

NMR spectroscopy: quantum-chemical calculations

✍ Scribed by Michael Bühl; Tanja van Mourik

Book ID: 112232710
Publisher: Wiley (John Wiley & Sons)
Year: 2011
Tongue: English
Weight: 393 KB
Volume: 1
Category: Article
ISSN: 1759-0876
DOI: 10.1002/wcms.63

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Cyclopropylcyclopropylidenemethyl Cation

Cyclopropylcyclopropylidenemethyl Cation: A Unique Stabilized Vinyl Cation Characterized by NMR Spectroscopy and Quantum Chemical ab Initio Calculations

✍ Siehl, Hans-Ullrich; Mueller, Thomas; Gauss, Juergen; Buzek, P.; Schleyer, Paul 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 509 KB

Comparing quantum-chemical calculation m

Comparing quantum-chemical calculation methods for structural investigation of zeolite crystal structures by solid-state NMR spectroscopy

✍ Darren H. Brouwer; Igor L. Moudrakovski; Richard J. Darton; Russell E. Morris 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 555 KB

Determining the Geometry of Hydrogen Bon

Determining the Geometry of Hydrogen Bonds in Solids with Picometer Accuracy by Quantum-Chemical Calculations and NMR Spectroscopy

✍ Martin Schulz-Dobrick; Thorsten Metzroth; Hans Wolfgang Spiess; Jürgen Gauss; In 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 341 KB 👁 1 views

Quantum Chemical Calculations on Structu

Quantum Chemical Calculations on Structural Models of the Catalytic Site of Chymotrypsin: Comparison of Calculated Results with Experimental Data from NMR Spectroscopy

✍ Westler, William M.; Weinhold, Frank; Markley, John L. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 171 KB

Molecular structure of H-bonded complexe

Molecular structure of H-bonded complexes of N,N-diphenylformamidine studied by IR and NMR spectroscopy and quantum chemical calculations

✍ S.F. Bureiko; N.S. Golubev; S.Yu. Kucherov; A.V. Shurukhina 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 323 KB

The results of experimental studies and theoretical calculations of vibrational frequencies and structure of H-bonded associates of N,N-diphenylformamidine and its complexes with carboxylic acids and hydrogen chloride in solution are discussed. The IR and low temperature NMR spectra show the existen

Effects of substituents in the cationic

Effects of substituents in the cationic and anionic η3-allylpalladium complexes according to data from13C NMR spectroscopy and quantum chemical calculations

✍ E. M. Evstigneeva; V. R. Flid; E. N. Bobkova; M. V. Lomonosov 📂 Article 📅 2009 🏛 Springer 🌐 English ⚖ 521 KB