Anisotropy in Stable Conformations of Hydroxylate Ions between the {001} and {110} Planes of TiO2 Rutile Crystals for Glycolate, Lactate, and 2-Hydroxybutyrate Ions Studied by Metadynamics Method-Reference-Cited by-同舟云学术

Anisotropy in Stable Conformations of Hydroxylate Ions between the {001} and {110} Planes of TiO2 Rutile Crystals for Glycolate, Lactate, and 2-Hydroxybutyrate Ions Studied by Metadynamics Method

Published:2019-06-25 Issue:6 Volume:4 Page:11014-11024
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Nada Hiroki¹^ORCID,Kobayashi Makoto²^ORCID,Kakihana Masato²

Affiliation:

1. National Institute of Advanced Industrial Science and Technology (AIST), 16-1 Onogawa, Tsukuba 305-8569, Japan

2. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.9b01100

Reference89 articles.

1. Additives and Crystallization Processes

2. Evaluating Glutamate and Aspartate Binding Mechanisms to Rutile (α-TiO2) via ATR-FTIR Spectroscopy and Quantum Chemical Calculations

3. Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces

4. Difference in the Conformation and Dynamics of Aspartic Acid on the Flat Regions, Step Edges, and Kinks of a Calcite Surface: A Molecular Dynamics Study

5. Entropy of Molecular Binding at Solvated Mineral Surfaces

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