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

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

Bibliographic Details
Main Authors: Hiroki Nada, Makoto Kobayashi, Masato Kakihana
Format: Article
Language:English
Published: American Chemical Society 2019-06-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.9b01100
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spelling doaj-b6542b60ced64997aac77e8565f1acc72020-11-25T03:16:53ZengAmerican Chemical SocietyACS Omega2470-13432019-06-0146110141102410.1021/acsomega.9b01100Anisotropy 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 MethodHiroki Nada0Makoto Kobayashi1Masato Kakihana2National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, JapanInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, JapanInstitute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japanhttp://dx.doi.org/10.1021/acsomega.9b01100
collection DOAJ
language English
format Article
sources DOAJ
author Hiroki Nada
Makoto Kobayashi
Masato Kakihana
spellingShingle Hiroki Nada
Makoto Kobayashi
Masato Kakihana
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
ACS Omega
author_facet Hiroki Nada
Makoto Kobayashi
Masato Kakihana
author_sort Hiroki Nada
title 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
title_short 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_sort 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
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2019-06-01
url http://dx.doi.org/10.1021/acsomega.9b01100
work_keys_str_mv AT hirokinada anisotropyinstableconformationsofhydroxylateionsbetweenthe001and110planesoftio2rutilecrystalsforglycolatelactateand2hydroxybutyrateionsstudiedbymetadynamicsmethod
AT makotokobayashi anisotropyinstableconformationsofhydroxylateionsbetweenthe001and110planesoftio2rutilecrystalsforglycolatelactateand2hydroxybutyrateionsstudiedbymetadynamicsmethod
AT masatokakihana anisotropyinstableconformationsofhydroxylateionsbetweenthe001and110planesoftio2rutilecrystalsforglycolatelactateand2hydroxybutyrateionsstudiedbymetadynamicsmethod
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