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Structure of Hydrogen Bonds and 1 H NMR Spectra of Water at the Interface of Oxides
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Optimization of parameters for semiempirical methods I. Method
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Optimization of parameters for semiempirical methods II. Applications
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General atomic and molecular electronic structure system
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A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation
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Aqueous Suspensions of Fumed Silica and Adsorption of Proteins
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CVD-Titania on Fumed Silica Substrate
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Energy Decomposition Analysis of Molecular Interactions
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Counterpoise corrections to the interaction energy components in bimolecular complexes
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Frozen fragment reduced variational space analysis of hydrogen bonding interactions. Application to the water dimer
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Calculation of magnetic response properties using atoms in molecules
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Calculation of magnetic response properties using a continuous set of gauge transformations
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Theoretical treatments of hydrogen bonding
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Temperature-programmed desorption of water from fumed silica, silica/titania, and silica/alumina
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Influence of modification of fine silica by organosilicon compounds on particle-particle interaction in aqueous suspensions
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Adsorption layers of water on the surface of hydrophilic, hydrophobic and mixed silicas
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Structurally ordered surface layers of water at the SiO2/ice interface and influence of adsorbed molecules of protein hydrolysate on them
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1H NMR studies of the adsorption of water on silicalite
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Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations
inferredcites →https://doi.org/10.1021/ja962057kopenalex-snapshot
Study of the Constitutive Superficial Water of Precipitated Amorphous Silicas using 1H NMR: Broad-Line at 4 K and HR MAS at 300 K
inferredcites →https://doi.org/10.1021/ja964331gopenalex-snapshot
Are There Hydrogen Bonds in Supercritical Water?
inferredcites →https://doi.org/10.1021/jp950696wopenalex-snapshot
Small Clusters of Water Molecules Using Density Functional Theory
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Ab Initio Molecular Dynamics Simulations
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Energy Decomposition Analyses for Many-Body Interaction and Applications to Water Complexes
inferredcites →https://doi.org/10.1021/jp9616019openalex-snapshot
Structure of Water Clusters. The Contribution of Many-Body Forces, Monomer Relaxation, and Vibrational Zero-Point Energy
inferredcites →https://doi.org/10.1021/jp981670iopenalex-snapshot
Heterogeneity of Brønsted Acidic Sites in Faujasite Type Zeolites due to Aluminum Content and Framework Structure
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Dielectric Properties and Dynamic Simulation of Water Bound to Titania/Silica Surfaces
inferredcites →https://doi.org/10.1021/la960441popenalex-snapshot
Active Site Nature of Pyrogenic Alumina/Silica and Water Bound to Surfaces
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Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O
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Self-consistent perturbation theory of diamagnetism
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Self-consistent perturbation theory
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Surface properties of rutile and its modified form - Part 1. Surface characteristics studied by means of inverse gas chromatography
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Surface properties of rutile and its modified form - Part 2. Characteristics of the water/solid interface as examined by means of 1H-NMR spectroscopy with bulk freezing
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