✦ LIBER ✦

Calculation of the proton transfer between water molecules

✍ Scribed by Yeong Fang; Jose R. De La Vega

Publisher: Elsevier Science
Year: 1970
Tongue: English
Weight: 346 KB
Volume: 6
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(70)80147-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Tunneling in the proton transfer between

Tunneling in the proton transfer between two water molecules

✍ Marie C. Flanigan; José R. de la Vega 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 301 KB

Directional Proton Transfer in Membrane

Directional Proton Transfer in Membrane Proteins Achieved through Protonated Protein-Bound Water Molecules: A Proton Diode

✍ Dr. Steffen Wolf; Erik Freier; Dr. Meike Potschies; Prof. Dr. Eckhard Hofmann; P 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 862 KB

Energy barriers of proton transfer react

Energy barriers of proton transfer reactions between amino acid side chain analogs and water from ab initio calculations

✍ Elena Herzog; Tomaso Frigato; Volkhard Helms; C. Roy D. Lancaster 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 584 KB

## Abstract Proton transfer reactions were studied in all titratable pairs of amino acid side chains where, under physiologically reasonable conditions, one amino acid may function as a donor and the other one as an acceptor. Energy barriers for shifting the proton from donor to acceptor atom were

How Does a Membrane Protein Achieve a Ve

How Does a Membrane Protein Achieve a Vectorial Proton Transfer Via Water Molecules?

✍ Steffen Wolf; Erik Freier; Klaus Gerwert 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 807 KB

Calculation of the rotational magnetic m

Calculation of the rotational magnetic moments of the ammonia and water molecules

✍ Sherry S. Chang; Hendrik F. Hameka 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 150 KB

We ulculate the rotatlonnl madnew moments and the correspondmEg\_factors for water and ammoma Our results are g,, = 0.39i,g,,,, ; 0 769 andxiz = 0 345 for water and gXx = g experImental values a.r'eilx = 0 , = 0 69 and gzz = 0 51 for ammonla The 585,g for ammoma yy = 0 742 and gzz = 0 666 for w,% an

The protonation of organic molecules: el

The protonation of organic molecules: electrostatic versus SCF CNDO calculations for three-membered ring molecules

✍ Carlo Petrongolo; Jacopo Tomasi 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 448 KB

## Rcccivcd 2 Jcnnxry 1973 A compnrison between ab initio and CNDO/Z methods is made both in the elecuostatic and in the SCF approsimation, in order to obtain ;L description of the protonation process of orpnic cycles. From the elcctrostztic CNDO results it is possible to get a sufticicntly reliab