Theoretical investigations into the nucleation of silica growth in basic solution part I – ab Initio studies of the formation of trimers and tetramers

29Si NMR and UV−Raman Investigation of Initial Oligomerization Reaction Pathways in Acid-Catalyzed Silica Sol−Gel Chemistry

(2011) Anouschka Depla et al.   Journal of Physical Chemistry C

Mechanism of the Initial Stage of Silicate Oligomerization

(2011) Xue-Qing Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A theoretical kinetic model of the temperature and pH dependent dimerization of orthosilicic acid in aqueous solution

(2011) Grant J. McIntosh   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Initial Steps of the Sol−Gel Process: Modeling Silicate Condensation in Basic Medium

(2010) Henning Henschel et al.   CHEMISTRY OF MATERIALS

Influence of Explicit Hydration Waters in Calculating the Hydrolysis Constants for Geochemically Relevant Metals

(2010) Matthew C. F. Wander et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mechanism of Acid-Catalyzed Hydrolysis of Formamide from Cluster-Continuum Model Calculations: Concerted versus Stepwise Pathway

(2010) Binju Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and theoretical investigations into the counter-intuitive shift in the antisymmetric ν(Si–O) vibrational modes upon deuteration of solvated silicic acid (H4SiO4)

(2010) Grant J. McIntosh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Acid dissociation mechanisms of Si(OH)4 and Al(H2O)63+ in aqueous solution

(2009) Xiandong Liu et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

The Effect of the Primary Solvate Shell on the Mechanism of the Stöber Silica Synthesis. A Density Functional Investigation

(2009) Péter Terleczky et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Role of Water in Silica Oligomerization

(2009) Thuat T. Trinh et al.   Journal of Physical Chemistry C

The role of water in silicate oligomerization reaction

(2009) Thuat T. Trinh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modelling nano-clusters and nucleation

(2009) C. Richard A. Catlow et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Gas-phase molecular structure and energetics of anionic silicates

(2008) José R.B. Gomes et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Density Functional Theory Investigation into Structure and Reactivity of Prenucleation Silica Species

(2008) Charles L. Schaffer et al.   Journal of Physical Chemistry C