Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
Let P(G,t) and F(G,t) denote the chromatic and flow polynomials of a graph G. G.D. Birkhoff and D.C. Lewis showed that, if G is a plane near triangulation, then the only zeros of...
Let G = (V, E) be a graph with n vertices and m ≥ 4n edges drawn in the plane. The celebrated Crossing Lemma states that G has at least Ω(m3 /n2 ) pairs of crossing edges; or ...
A geometric simultaneous embedding of two graphs G1 = (V1, E1) and G2 = (V2, E2) with a bijective mapping of their vertex sets γ : V1 → V2 is a pair of planar straightline drawi...
Fabrizio Frati, Michael Kaufmann, Stephen G. Kobou...
The planarization method has proven to be successful in graph drawing. The output, a combinatorial planar embedding of the so-called planarized graph, can be combined with state-o...