An optimized approach to compute hybridi
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C. Gopi Mohan; Anil Kumar; P. C. Mishra
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Article
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1996
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John Wiley and Sons
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English
β 758 KB
Electrostatic potential maps of certain biologically important molecules (guanine, adenine, cytosine, thymine, and two conformers of glycine) were studied employing a "hybridization displacement charge (HDC)" correction to Lowdin charge distributions and using the conventional Mulliken charge distri