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The changing features of the molecular intrinsic characteristic contours of H2 molecule in the ground and first excited states calculated by an ab initio method

✍ Scribed by Dong-Xia Zhao; Zhong-Zhi Yang


Book ID
114141802
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
795 KB
Volume
579
Category
Article
ISSN
0166-1280

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The structure and energetics of the C H и I complex have been studied 6 6 2 1 1.55 eV difference between the vertical and adiabatic excitation energies of 4 AЈ and the dramatic geometry change in the CT state.