✦ LIBER ✦

Hydrogen-bonded acetic acid dimers: Anharmonic coupling and linear infrared spectra studied with density-functional theory

✍ Scribed by Dreyer, Jens

Book ID: 120163747
Publisher: American Institute of Physics
Year: 2005
Tongue: English
Weight: 844 KB
Volume: 122
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1891727

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density Functional Theory Study of Hydro

Density Functional Theory Study of Hydrogen Bonding Dimers with 4-Pyridinecarboxylic Acid Hydrazine

✍ Qiongfen Yang; Bingyun Xie; Prof. Dr. Quan Li; Keqing Zhao 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 216 KB

Time-dependent density functional theory

Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex

✍ Yufang Liu; Junxia Ding; Ruiqiong Liu; Deheng Shi; Jinfeng Sun 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB 👁 2 views

## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogen‐bonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the time‐dependent density functional theo

Evidence for Hydrogen-Bond-Mediated Exch

Evidence for Hydrogen-Bond-Mediated Exchange Coupling in an Aqua-Bridged CuII Dimer: Synthesis, Magnetic Study and Correlation with Density Functional Calculations

✍ Pritha Talukder; Soma Sen; Samiran Mitra; Lutz Dahlenberg; Cédric Desplanches; J 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB 👁 1 views

Double π- and σ-hydrogen bonding in form

Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory study

✍ Ruslan M. Minyaev; Vladimir I. Minkin; Tatyana N. Gribanova; Andrey G. Starikov 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 812 KB

Dependence upon Basis Sets of trans Hydr

Dependence upon Basis Sets of trans Hydrogen-Bond 13 C− 15 N 3-Bond and Other Scalar J-Couplings in Amide Dimers Used as Peptide Models. A Density Functional Theory Study

✍ Salvador, Pedro; Dannenberg, J. J. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 64 KB

Hydrogen-Bond Cooperativity, Vibrational

Hydrogen-Bond Cooperativity, Vibrational Coupling, and Dependence of Helix Stability on Changes in Amino Acid Sequence in Small 3 10 -Helical Peptides. A Density Functional Theory Study

✍ Wieczorek, Robert; Dannenberg, J. J. 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 224 KB