✦ LIBER ✦

Hydrogen bonding interactions betweenN,N-dimethylformamide and cysteine: DFT studies of structures, properties, and topologies

✍ Scribed by Zhengguo Huang; Lei Yu; Yumei Dai; Hongke Wang

Publisher: Springer
Year: 2010
Tongue: English
Weight: 351 KB
Volume: 22
Category: Article
ISSN: 1040-0400
DOI: 10.1007/s11224-010-9689-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hydrogen bonding interactions in noradre

Hydrogen bonding interactions in noradrenaline-DMSO complexes: DFT and QTAIM studies of structure, properties and topology

✍ Zhengguo Huang; Yumei Dai; Lei Yu; Hongke Wang 📂 Article 📅 2011 🏛 Springer-Verlag 🌐 English ⚖ 422 KB

Hydrogen bonding interactions in PN···HX

Hydrogen bonding interactions in PN···HX complexes: DFT and ab initio studies of structure, properties and topology

✍ Pradeep Risikrishna Varadwaj 📂 Article 📅 2009 🏛 Springer-Verlag 🌐 English ⚖ 216 KB

Crystal and molecular structure, hydroge

Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(homarine) hydrogen perchlorate studied by X-ray diffraction, DFT calculations, FTIR and Raman spectroscopies

✍ M. Szafran; A. Katrusiak; Z. Dega-Szafran 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 577 KB

The crystals of bis(homarine)hydrogen perchlorate, (HOM) 2 HAEClO 4 , (1) are orthorhombic, space group C2/c, with a pair of HOM molecules bridged by a symmetrical OAEHAEO hydrogen bond of 2.480(3) A ˚. In the homoconjugated cation, (HOMAEHAEHOM) + , the H-bonded proton is in centre of inversion. Th

Crystal and molecular structure, hydroge

Crystal and molecular structure, hydrogen bond and electrostatic interactions of bis(1-methylisonicotinate)hydrogen perchlorate studied by X-ray diffraction, DFT calculations, FT-IR, Raman and NMR spectroscopes

✍ M. Szafran; A. Katrusiak; Z. Dega-Szafran 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 482 KB

XRD and DFT-modelized structures of a pt

XRD and DFT-modelized structures of a pteridine-2,4(1H,3H)-dithione/N,N′-dimethylformamide H-bonded cluster (2:2). MO study of the coordination ability

✍ Nuria A. Illán-Cabeza; Tomás Peña-Ruiz; Miguel N. Moreno-Carretero 📂 Article 📅 2011 🏛 Springer-Verlag 🌐 English ⚖ 700 KB

One- and Two-Dimensional 15N Exchange CP

One- and Two-Dimensional 15N Exchange CP/MAS NMR Studies of the Structure and Electronic Properties of the Intermolecular N—H⋯N Hydrogen Bond in Imidazole Crystal

✍ T. Ueda; H. Masui; N. Nakamura 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 128 KB

The hydrogen bond of the type N-H• • • N in imidazole crystal has been studied by oneand two-dimensional 15 N exchange CP/MAS NMR measurements as well as the powder NMR spectrum. The chemical shift anisotropies for -N and -N< were determined from the powder 1D spectrum. In 2D exchange CP/MAS NMR spe