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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-396

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ROOT
- IrO2(110)
  - Amides
    - Acetamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Amidines
    - Acetimidamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formimidamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Amines
    - Ethanamine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanamine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-amine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Trimethylamine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Carbamate_esters
    - Carbamic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHy
    - Acetylene
      - bridge_Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethene
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Prop-1-yne
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propylene
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyO
    - Acetaldehyde
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethanol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formaldehyde
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
    - Methanol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methoxymethane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-ol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-one
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyO2-3
    - Acetic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Carbonic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
  - CxHyS
    - Dimethylsulfane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethanethial
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethanethiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanethial
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanethiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane-2-thiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane-2-thione
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Imines
    - Ethanimine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanimine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - N-methylmethanimine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-imine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Oximes
    - Formaldoxime
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
- RuO2(110)
  - Amides
    - Acetamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formamide
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Amidines
    - Acetimidamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formimidamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Amines
    - Ethanamine
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanamine
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
    - Propan-2-amine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Trimethylamine
      - bridge_Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Carbamate_esters
    - Carbamic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHy
    - Acetylene
      - bridge_Obr
      - hollow_M5c-Oip
      - top_M5c
    - Ethane
      - bridge_Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethene
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Prop-1-yne
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propylene
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyO
    - Acetaldehyde
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
    - Ethanol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formaldehyde
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methoxymethane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-ol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-one
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyO2-3
    - Acetic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Carbonic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formic-acid
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyS
    - Dimethylsulfane
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
    - Ethanethial
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
    - Ethanethiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanethial
      - bridge_Obr
      - hollow_M5c-Obr
      - top_M5c
      - top_Obr
    - Methanethiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane-2-thiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane-2-thione
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Imines
    - Ethanimine
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanimine
      - bridge_Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - N-methylmethanimine
      - top_M5c
      - top_Obr
    - Propan-2-imine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Oximes
    - Formaldoxime
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
- Ti(0001)
  - Amides
    - Acetamide
    - Formamide
  - Amidines
    - Acetimidamide
    - Formimidamide
  - Amines
    - Ethanamine
    - Methanamine
    - Propan-2-amine
    - Trimethylamine
  - Carbamate_esters
    - Carbamic-acid
  - CxHy
    - Acetylene
    - Ethane
    - Ethene
    - Prop-1-yne
    - Propane
    - Propylene
  - CxHyO
    - Acetaldehyde
    - Ethanol
    - Formaldehyde
    - Methoxymethane
    - Propan-2-ol
    - Propan-2-one
  - CxHyO2-3
    - Acetic-acid
    - Carbonic-acid
    - Formic-acid
  - CxHyS
    - Dimethylsulfane
    - Ethanethial
    - Ethanethiol
    - Methanethial
    - Methanethiol
    - Propane-2-thiol
    - Propane-2-thione
  - Imines
    - Ethanimine
    - Methanimine
    - N-methylmethanimine
    - Propan-2-imine
  - Oximes
    - Formaldoxime
- TiO2(110)
  - Amides
    - Acetamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Amidines
    - Acetimidamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formimidamide
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Amines
    - Ethanamine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanamine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-amine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Trimethylamine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Carbamate_esters
    - Carbamic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHy
    - Acetylene
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethene
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Prop-1-yne
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propylene
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyO
    - Acetaldehyde
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethanol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formaldehyde
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methoxymethane
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-ol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-one
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyO2-3
    - Acetic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Carbonic-acid
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Formic-acid
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - CxHyS
    - Dimethylsulfane
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
    - Ethanethial
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Ethanethiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanethial
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanethiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane-2-thiol
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propane-2-thione
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Imines
    - Ethanimine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Methanimine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - N-methylmethanimine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
    - Propan-2-imine
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
  - Oximes
    - Formaldoxime
      - bridge_Obr
      - hollow_M5c-Obr
      - hollow_M5c-Oip
      - top_M5c
      - top_Obr
- adsorbates
- slabs

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