Selected ATcT [1, 2] enthalpy of formation based on version 1.202 of the Thermochemical Network [3]This version of ATcT results[3] was generated by additional expansion of version 1.176 in order to include species related to the thermochemistry of glycine[4]. |
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Dichlorine | ||||||||
Formula: Cl2 (g) | ||||||||
CAS RN: 7782-50-5 | ||||||||
ATcT ID: 7782-50-5*0 | ||||||||
SMILES: ClCl | ||||||||
InChI: InChI=1S/Cl2/c1-2 | ||||||||
InChIKey: KZBUYRJDOAKODT-UHFFFAOYSA-N | ||||||||
Hills Formula: Cl2 | ||||||||
2D Image: | ||||||||
Aliases: Cl2; Dichlorine; Chlorine molecule; Chlorine; Molecular chlorine; Diatomic chlorine; Bertholite | ||||||||
Relative Molecular Mass: 70.9054 ± 0.0018 | ||||||||
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3D Image of Cl2 (g) | ||||||||
spin ON spin OFF | ||||||||
1 |
B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner, Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited. J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y] |
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2 |
B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner, Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078] |
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3 |
B. Ruscic and D. H. Bross, Active Thermochemical Tables (ATcT) values based on ver. 1.202 of the Thermochemical Network (2024); available at ATcT.anl.gov |
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4 |
B. Ruscic and D. H. Bross Accurate and Reliable Thermochemistry by Data Analysis of Complex Thermochemical Networks using Active Thermochemical Tables: The Case of Glycine Thermochemistry Faraday Discuss. (in press) (2024) [DOI: 10.1039/D4FD00110A] |
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5 |
B. Ruscic, Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables. Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605] |
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6 |
B. Ruscic and D. H. Bross, Thermochemistry Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2] |