Sciweavers

33 search results - page 6 / 7
» gd 2007
Sort
View
JCC
2007
79views more  JCC 2007»
13 years 5 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
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. ...
CPC
2007
88views more  CPC 2007»
13 years 5 months ago
Zero-Free Intervals for Flow Polynomials of Near-Cubic Graphs
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...
Bill Jackson
GD
2007
Springer
13 years 12 months ago
A Bipartite Strengthening of the Crossing Lemma
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 ...
Jacob Fox, János Pach, Csaba D. Tóth
GD
2007
Springer
13 years 12 months ago
Constrained Simultaneous and Near-Simultaneous Embeddings
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...
GD
2006
Springer
13 years 9 months ago
Planarity Testing and Optimal Edge Insertion with Embedding Constraints
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...
Carsten Gutwenger, Karsten Klein, Petra Mutzel