The quantum mechanical relevance of the concept of a spanning tree extant within a given molecular graph-specifically, one that may be considered to represent the carbon-atom connectivity of a particular (planar) conjugated system-was first explicitly pointed out by Professor Roy McWeeny in his now-
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The number of spanning trees in a class of double fixed-step loop networks
โ Scribed by Xuerong Yong; Yuanping Zhang; Mordecai J. Golin
- Publisher
- John Wiley and Sons
- Year
- 2008
- Tongue
- English
- Weight
- 140 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0028-3045
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## Abstract A new algorithm is introduced to perform the multiple time step integration of the equations of motion for a molecular system, based on the splitting of the nonbonded interactions into a series of distance classes. The interactions between particle pairs in successive classes are update