Catalytic Behavior of Hydrogen Bonded Water in Oligomerization of Silicates.
暂无分享,去创建一个
[1] Nicholas H. C. Lewis,et al. Crossover from hydrogen to chemical bonding , 2021, Science.
[2] Nicholas H. C. Lewis,et al. Broadband 2D IR spectroscopy reveals dominant asymmetric H5O2+ proton hydration structures in acid solutions , 2018, Nature Chemistry.
[3] Wanrun Jiang,et al. The electron density delocalization of hydrogen bond systems , 2018 .
[4] Hua Hou,et al. Theoretical characterizations of the mechanism for the dimerization of monosilicic acid in basic solution. , 2013, Physical chemistry chemical physics : PCCP.
[5] Siddharth V. Patwardhan,et al. A solution study of silica condensation and speciation with relevance to in vitro investigations of biosilicification. , 2010, The journal of physical chemistry. B.
[6] H. Henschel,et al. Initial Steps of the Sol−Gel Process: Modeling Silicate Condensation in Basic Medium , 2010 .
[7] J. Goodman,et al. Enzyme catalysis by hydrogen bonds: the balance between transition state binding and substrate binding in oxyanion holes. , 2010, The Journal of organic chemistry.
[8] A. Jansen,et al. Effect of counter ions on the silica oligomerization reaction. , 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.
[9] A. Jansen,et al. The role of water in silicate oligomerization reaction. , 2009, Physical chemistry chemical physics : PCCP.
[10] M. Head‐Gordon,et al. Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections. , 2008, Physical chemistry chemical physics : PCCP.
[11] C. Catlow,et al. H-Bond interactions between silicates and water during zeolite pre-nucleation. , 2008, Physical chemistry chemical physics : PCCP.
[12] J. Vermant,et al. Characterization of nanoparticles in diluted clear solutions for Silicalite-1 zeolite synthesis using liquid 29Si NMR, SAXS and DLS. , 2008, Physical chemistry chemical physics : PCCP.
[13] D. Vlachos,et al. Thermodynamics of Silica Nanoparticle Self-Assembly in Basic Solutions of Monovalent Cations , 2008 .
[14] Kendall T. Thomson,et al. Density Functional Theory Investigation into Structure and Reactivity of Prenucleation Silica Species , 2008 .
[15] M. Head‐Gordon,et al. Systematic optimization of long-range corrected hybrid density functionals. , 2008, The Journal of chemical physics.
[16] M. Mora-Fonz,et al. Modeling Aqueous Silica Chemistry in Alkali Media , 2007 .
[17] B. Weimann,et al. Dynamics of silicate species in solution studied by mass spectrometry with isotopically labeled compounds. , 2007, Angewandte Chemie.
[18] Stefan Grimme,et al. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction , 2006, J. Comput. Chem..
[19] A. Jansen,et al. Mechanism of oligomerization reactions of silica. , 2006, The journal of physical chemistry. B.
[20] M. Swart,et al. Performance of various density functionals for the hydrogen bonds in DNA base pairs , 2006 .
[21] F. Schüth,et al. Monitoring temporal evolution of silicate species during hydrolysis and condensation of silicates using mass spectrometry. , 2006, Journal of the American Chemical Society.
[22] R. Parthasarathi,et al. Hydrogen bonding without borders: an atoms-in-molecules perspective. , 2006, The journal of physical chemistry. A.
[23] C. Catlow,et al. Oligomerization and cyclization processes in the nucleation of microporous silicas. , 2005, Angewandte Chemie.
[24] A. Warshel,et al. The low barrier hydrogen bond (LBHB) proposal revisited: The case of the Asp ··· His pair in serine proteases , 2004, Proteins.
[25] Giovanni Scalmani,et al. Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model , 2003, J. Comput. Chem..
[26] E. Glendening,et al. Natural bond orbital methods , 2002 .
[27] Mark E. Davis,et al. Si-MFI Crystallization Using a "Dimer" and "Trimer" of TPA Studied with Small-Angle X-ray Scattering , 2000 .
[28] P. Jacobs,et al. Identification of precursor species in the formation of MFI zeolite in the TPAOH-TEOS-H2O system , 1999 .
[29] G. D. Price,et al. Ab Initio Studies of Silica-Based Clusters. Part II. Structures and Energies of Complex Clusters , 1999 .
[30] G. D. Price,et al. Ab Initio Studies of Silica-Based Clusters. Part I. Energies and Conformations of Simple Clusters , 1999 .
[31] Mark E. Davis,et al. SAXS and USAXS Investigation on Nanometer-Scaled Precursors in Organic-Mediated Zeolite Crystallization from Gelating Systems , 1999 .
[32] C. Catlow,et al. Computer modeling of nucleation, growth, and templating in hydrothermal synthesis , 1998 .
[33] M. Gordon,et al. THEORETICAL STUDIES OF THE MECHANISM FOR THE SYNTHESIS OF SILSESQUIOXANES.1. HYDROLYSIS AND INITIAL CONDENSATION , 1998 .
[34] S. D. Kinrade,et al. Silicon-29 NMR Studies of Tetraalkylammonium Silicate Solutions. 2. Polymerization Kinetics. , 1998, Inorganic chemistry.
[35] V. Barone,et al. Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model , 1998 .
[36] G. D. Price,et al. Silica condensation reaction: an ab initio study , 1998 .
[37] A. Becke. Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals , 1997 .
[38] V. S. Murthy,et al. Nucleophilic Reactions with Tetramethoxysilane and Tetraethoxysilane under Negative Ion Chemical Ionization Conditions , 1995 .
[39] Mark E. Davis,et al. Mechanism of Structure Direction in the Synthesis of Si-ZSM-5: An Investigation by Intermolecular 1H-29Si CP MAS NMR , 1994 .
[40] J. Knowles,et al. Segmental motion in catalysis: investigation of a hydrogen bond critical for loop closure in the reaction of triosephosphate isomerase. , 1992, Biochemistry.
[41] R. Ménard,et al. Oxyanion hole interactions in serine and cysteine proteases. , 1992, Biological chemistry Hoppe-Seyler.
[42] A. Warshel,et al. How do serine proteases really work? , 1989, Biochemistry.
[43] L. Curtiss,et al. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint , 1988 .
[44] Frank Weinhold,et al. Natural localized molecular orbitals , 1985 .