✦ LIBER ✦

Molecular force field for interhalogen compounds: III. Chlorine and bromine trifluorides

✍ Scribed by K. Ramaswamy; P. Muthusubramanian

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 236 KB
Volume: 9
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(71)85021-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular force fields for interhalogen

Molecular force fields for interhalogen compounds: II. Chlorine and bromine pentafluorides

✍ K. Ramaswamy; P. Muthusubramanian 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 443 KB

Molecular force field for interhalogen c

Molecular force field for interhalogen compounds: IF5, IOF5 and IF7

✍ K. Ramaswamy; P. Muthusubramanian 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 564 KB

Relation between molecular geometries an

Relation between molecular geometries and nuclear quadrupole coupling constants for some oxy-compounds of bromine and chlorine

✍ J.R. Byberg; J. Spanget-Larsen 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 393 KB

A vibrational molecular force field of m

A vibrational molecular force field of model compounds with biological interest—III. Harmonic dynamics of α- and β-d-galactose in the crystalline state

✍ Majda Sekkal; Pierre Legrand; Gérard Vergoten; Manuel Dauchez 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 1003 KB

## Ahatraet -The infrared spectra of a-and B-o-galactose were recorded, both in the mid-IR range (4000-5OOcm-r) and in the far-IR (500-50cm-'). The Raman spectra were also obtained. These spectra constitute the basis of a crystalline-state force field established for these two molecules through a

A vibrational molecular force field of m

A vibrational molecular force field of model compounds with biological interest. IV. Parameters for the different glycosidic linkages of oligosaccharides

✍ Manuel Dauchez; Philippe Derreumaux; Philippe Lagant; Gérard Vergoten 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 948 KB

The force field previously obtained for both anomers of glucose has been applied to six disaccharides that are molecules of D-glucopyranosyl residues. These six disaccharides have different types of glycosidic linkages-that is, a,a trehalose dihydrate (1-11, sophorose monohydrate ( p, 1-2), laminara

CHARMM fluctuating charge force field fo

CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model

✍ Sandeep Patel; Alexander D. Mackerell Jr.; Charles L. Brooks III 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 416 KB 👁 1 views

## Abstract A fluctuating charge (FQ) force field is applied to molecular dynamics simulations for six small proteins in explicit polarizable solvent represented by the TIP4P‐FQ potential. The proteins include 1FSV, 1ENH, 1PGB, 1VII, 1H8K, and 1CRN, representing both helical and β‐sheet secondary s