✦ LIBER ✦

Glycine conformations: gradient-corrected DFT-studies

✍ Scribed by Martina Kieninger; Sandor Suhai; Oscar N Ventura

Book ID: 114142965
Publisher: Elsevier Science
Year: 1998
Tongue: English
Weight: 736 KB
Volume: 433
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(98)00025-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Microsolvation of Glycine: A DFT Study

✍ Bachrach, Steven M. 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 879 KB

Grid-free DFT implementation of local an

Grid-free DFT implementation of local and gradient-corrected XC functionals

✍ Gerd Berghold; Jürg Hutter; Michele Parrinello 📂 Article 📅 1998 🏛 Springer 🌐 English ⚖ 158 KB

Phosphorus NMR Chemical Shifts with Self

Phosphorus NMR Chemical Shifts with Self-Interaction Free, Gradient-Corrected DFT

✍ Patchkovskii, Serguei; Ziegler, Tom 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 133 KB

DFT conformational studies of α-maltotri

DFT conformational studies of α-maltotriose

✍ Udo Schnupf; Julious L. Willett; Wayne B. Bosma; Frank A. Momany 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 548 KB

## Abstract Recent DFT optimization studies on α‐maltose improved our understanding of the preferred conformations of α‐maltose. The present study extends these studies to α‐maltotriose with three α‐__D__‐glucopyranose residues linked by two α‐[1→4] bridges, denoted herein as DP‐3's. Combinations o

DFT Study of Conformational and Spectros

DFT Study of Conformational and Spectroscopic Properties of Yatakemycin

✍ Pichierri, Fabio; Galasso, Vinicio 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 384 KB

Conformational Analyses of Glycinal and

Conformational Analyses of Glycinal and Alaninal: A Computational Study

✍ Krishna L. Bhat; Brandon A. Francis; Joseph D. Larkin; Mendel Trachtman; Charles 📂 Article 📅 2001 🏛 Springer 🌐 English ⚖ 185 KB