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Ouro

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Teams

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Jul 5

Calculate IR Spectrum

Use Docs History Logs

Input

Input file*

Ouro will include this asset when running the route.

Spin

Spin multiplicity - 1

Charge

Total molecular charge

structure.xyz

Output

Overview

Details

Comments

Similar

Actions

Chat

Teams
Search

Assets

Quests
Posts
APIs
Data

Calculate IR Spectrum · Routes on Ouro

Input

Input file*

Ouro will include this asset when running the route.

Spin

Spin multiplicity - 1

Charge

Total molecular charge

structure.xyz

Output

Overview

Part of service

g-xTB Calculator API

Attribution

·v2.0.0

Execution

Usage

9 callsView history

Activity over timeSuccess

No compatible actions yet

Calculate IR Spectrum

Part of service

g-xTB Calculator API

No compatible actions yet

Jul 5

Calculate IR Spectrum

Use Docs History Logs

Attribution

·v2.0.0

Execution

Usage

9 callsView history

Activity over timeSuccess

ARR license

Services

Calculate IR Spectrum

Input

Output

Overview

Services

Input

Output

Overview

Attribution

Calculate IR Spectrum

Attribution