1. |
|
|
2. |
- Contreras, R, et al.
(författare)
-
Hydrogen bonding and dissociation effects on the gas phase proton transfer reactions of ozone
- 1998
-
Ingår i: THEORETICAL CHEMISTRY ACCOUNTS. - : SPRINGER VERLAG. ; 99:1
-
Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- Recently, the proton affinity (PA) of ozone was experimentally determined by Cacace and Speranza [Science (1994) 265: 208] using a bracketing technique that involved the proton transfer (PT) reactions: O3H+ + B double right arrow O-3 + BH+; for different
|
|
3. |
- Contreras, R, et al.
(författare)
-
Theory of non-local (pair site) reactivity from model static-density response functions
- 1998
-
Ingår i: THEORETICAL CHEMISTRY ACCOUNTS. - : SPRINGER VERLAG. - 1432-881X. ; 99:3, s. 183-191
-
Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Activation is a fundamental and well-known concept in chemistry, It may be qualitatively, defined as an increase in the chemical reactivity pattern of a molecule at a given site k when the system is locally perturbed at a different site l, say. This exter
|
|
4. |
- Perez, P, et al.
(författare)
-
Relationship between the electronic chemical potential and proton transfer barriers
- 1997
-
Ingår i: CHEMICAL PHYSICS LETTERS. - : ELSEVIER SCIENCE BV. - 0009-2614. ; 269:5-6, s. 419-427
-
Tidskriftsartikel (refereegranskat)abstract
- Gas phase proton transfer (PT) reactions in an isoelectronic series of neutral, positively and negatively charged hydrogen-bonded systems are analyzed using density functional theory calculations, Based on an equation of state relating the difference in p
|
|