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### Optimized geometrical structure
The Gaussian 09 W software is designed to optimize the molecules of caffeine and nicotine. The calculated minimum total energy to stabilize the molecule in various phases, such as the gas phase, CCl<sub>4</sub> (carbon tetrachloride), and DMSO (dimethyl sulfoxide) solvent. The comparison of two stimulant molecules, caffeine and nicotine, in different solvents like CCl<sub>4</sub> and DMSO shows polar and non-polar nature. The comparison of the dipole moment between two molecules in different solvents reveals that a higher value indicates a polar nature. The two molecules, nicotine and caffeine, are compared and studied in two different solvents, CCl<sub>4</sub> and DMSO. The comparison of dipole moment and minimum energy of caffeine and nicotine molecules was compared in different phases. The lowest total energies of caffeine and nicotine molecules found in the gas phase are -18518.8 eV and -13581.43 eV, respectively. Also, the comparison of minimum energy between B3LYP and CAM-B3LYP shows higher stability of molecules in different phases. Similarly, the lowest energy for caffeine is smaller than nicotine in CCl<sub>4</sub> and DMSO solvents. The caffeine molecule is more stable in the gas phase, and the stability of the molecule is continuously decreasing from neutral gas phase e to DMSO solvent. Similarly, the stability of the nicotine molecule decreases from the neutral gas phase to the DMSO solvent Fig. 1 displays the optimized geometries of the caffeine and nicotine molecules, along with their associated symbols and atom
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## Fig1. Geometrically optimized structure of (a) caffeine and (b) nicotine molecule with atomic symbol and labeling of atoms.
The figure shows two molecular structure diagrams:
**a) Optimized caffeine molecule**: A complex organic molecule with multiple rings containing carbon (C), nitrogen (N), oxygen (O), and hydrogen (H) atoms. The atoms are labeled with numbers and letters (e.g., 22H, 23H, 14C, 9C, 10C, 7C, etc.). The structure shows a purine ring system with methyl groups and carbonyl groups.
**b) Optimized nicotine molecule**: An organic molecule containing two ring systems - a pyridine ring and a pyrrolidine ring. The atoms are similarly labeled with numbers and letters (e.g., 23H, 25H, 9C, 11C, 12C, 26H, etc.). The structure shows the characteristic bicyclic structure of nicotine.
Example 2 - LabBook interface is an image:
The LabBook interface shows several main sections:
**Navigation Bar:** Accueil | Administratif | Rapports | Paramétrages | Technicien TESTEUR
**Main Dashboard Sections:**
- **Urgences** - A mouse flyover over this logo shows files containing analyses to be done as emergencies
- **Liste des dossiers** - File listings
- **Liste de travail technicien** - Technician work list
- **État des prélèvements en cours** - Status of samples in progress
- **Saisie des résultats** - Results entry
- **Nouvelle demande externe** - New external request
- **Nouvelle demande hospitalisé** - New hospitalized request
**User Account Access:** Click here to change personal data, password and log out
**Validations à effectuer** - Shows a pie chart with:
- Technique (2)
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**Activité du laboratoire** - Laboratory activity showing:
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- Nombre de dossiers validés aujourd'hui: 0
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Clicking the icon next to your name opens several options:
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Example 2 - LabBook interface is an image:
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