Buscar
Mostrando ítems 1-10 de 37
The HSAB principle from a finite temperature grand‑canonical perspective
(Springer, 2017)
We provide a new proof for Pearson’s hard/
soft acid/base (HSAB) principle. Unlike alternative proofs,
we do not presuppose a simplified parabolic dependence
on the energy of the system with respect to changes in ...
Scrutiny of the hsab principle in some representative acid-base reactions
(AMERICAN CHEMICAL SOCIETY, 2001)
Scrutiny of the hsab principle in some representative acid-base reactions
(AMERICAN CHEMICAL SOCIETY, 2001)
Scrutiny of the hsab principle in some representative acid-base reactions
(AMERICAN CHEMICAL SOCIETY, 2001)
Scrutiny of the hsab principle in some representative acid-base reactions
(AMERICAN CHEMICAL SOCIETY, 2001)
Scrutiny of the HSAB principle in some representative acid-base reactions
(American Chemical Society, 2001)
A thorough quantitative analysis of the HSAB principle is performed. Complex formation reactions of a typical soft acid, Ag+, and typical hard acid, HF, with the bases XH3 (X = N, P, As) are studied using the DFT/B3LYP ...
Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study
(AMER CHEMICAL SOC, 1999)
Molecular vibrations in ammonia (NH3) and hydrogen sulfide (H2S), and internal rotations in hydrogen peroxide (HOOH), hydrogen thioperoxide (HSOH), hydrogen persulfide (HSSH), and ethylene (C2H4) are studied using ab initio ...
The HSAB principle from a finite-temperature grand-canonical perspective
(Springer New York LLC, 2017)
© 2017, Springer-Verlag GmbH Germany.We provide a new proof for Pearson’s hard/soft acid/base (HSAB) principle. Unlike alternative proofs, we do not presuppose a simplified parabolic dependence on the energy of the system ...
The hsab principle from a finite-temperature grand-canonical perspective
(2017)
We provide a new proof for Pearson's hard/soft acid/base (HSAB) principle. Unlike alternative proofs, we do not presuppose a simplified parabolic dependence on the energy of the system with respect to changes in its number ...