✦ LIBER ✦

Ab Initio Study of Hydrogen-Bonded Complexes of Small Organic Molecules with Water

✍ Scribed by Rablen, Paul R.; Lockman, Jeffrey W.; Jorgensen, William L.

Book ID: 120272878
Publisher: American Chemical Society
Year: 1998
Tongue: English
Weight: 212 KB
Volume: 102
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp980708o

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio molecular dynamics study on

An ab initio molecular dynamics study on hydrogen bonds between water molecules

✍ Pan, Zhang; Chen, Jing; Lü, Gang; Geng, Yi-Zhao; Zhang, Hui; Ji, Qing 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 687 KB

Hydrogen bond studies: 79. Correlation c

Hydrogen bond studies: 79. Correlation curves for properties of hydrogen bonded water molecules based on ab initio calculations

✍ J. Lindgren; J. Tegenfeldt 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 607 KB

SCF ab initio study of lithium-bonded co

SCF ab initio study of lithium-bonded complexes

✍ Małgorzata M. Szczȩśniak; Henryk Ratajczak 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 399 KB

The structure and propertIes of three lithmm-bonded complexes. HsN.. LIH, CzHa... LW, CzH, .-LiH, and tire hydrogenbonded analogues. H,N ..HF and CzHz J-IF, hare been investigated at the SCF double-zeta plus polarization Ievel. The changes of several properties of LI-bonded comple\es as a function o

AB Initio Studies of Hydrogen Bonds: The

AB Initio Studies of Hydrogen Bonds: The Water Dimer Paradigm

✍ Scheiner, S 📂 Article 📅 1994 🏛 Annual Reviews 🌐 English ⚖ 796 KB

Deuterium NMR and Ab Initio Studies of S

Deuterium NMR and Ab Initio Studies of Strongly Hydrogen-Bonded Molecules

✍ Xingang Zhao; Matt Dvorak; Carter Silvernail; John Belot; Gerard S Harbison 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 167 KB

Two newly synthesized alkylated cyanomalonaldehyde derivatives possess very short intramolecular hydrogen bonds, which are studied by deuterium NMR. Both the dimethyl and di-tert-butyl derivatives have small deuterium quadrupole coupling constants and large asymmetry parameters. In addition, the di-

An ab Initio Quantum Mechanical Study of

An ab Initio Quantum Mechanical Study of Hydrogen-Bonded Complexes of Biological Interest

✍ Huang, Niu; MacKerell, Alexander D. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 102 KB