Application of the SCC-DFTB Method to Neutral and Protonated Water Clusters and Bulk Water

Journal of Physical Chemistry B - United States
doi 10.1021/jp202259c
Full Text
Abstract

Available in full text

Date
Authors
Publisher

American Chemical Society (ACS)

Related search

Global Optimization of Neutral and Charged 20- And 55-Atom Silver and Gold Clusters at the DFTB Level

Computational and Theoretical Chemistry
BiochemistryTheoretical ChemistryCondensed Matter PhysicsPhysical
2017English

An Efficient Way to Model Complex Magnetite: Assessment of SCC-DFTB Against DFT

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

Protonated Ethanol and Its Neutral Counterparts

Journal of the American Society for Mass Spectrometry
Structural BiologySpectroscopy
1991English

The Vibrational Spectra of Protonated Water Clusters: A Benchmark for Self-Consistent-Charge Density-Functional Tight Binding

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2007English

Correction to “Anomalous Water Molecules and Mechanistic Effects of Water Nanotube Clusters Confined to Molecular Porous Crystals”

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2019English

A Dynamic Distribution Method Composed of Mathematical Programming and Heuristic Method and Its Application to Water Management

Transactions of the Society of Instrument and Control Engineers
1994English

Research and Application of Water Flooding Timing and Method for Blocky Bottom Water Fractured Buried Hill Reservoir

Journal of Power and Energy Engineering
2019English

The Origin of the Dual Fluorescence of Protonated Ellipticine in Water

Chemical Physics Letters
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

The Dynamic Crossover in Water Does Not Require Bulk Water

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy