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121.
本文试图以浅显明确的形式描述对称轴定理,使之能与对称面定理相媲美,并对对称轴定理作一定的扩展,给出分子轨道构造定理。 相似文献
122.
The interactive generation of chemical structures from given fragments is described and discussed. It is implemented as a part of our expert system CARBON, based on C-13 NMR spectra. As it is designed, this program can also be a useful tool in the structure elucidation process when information on parts of the structure is obtained by other means (IR, mass and other spectrometries, chemical analysis, other relevant information). The topological characteristics of candidate fragments are first chosen interactively and then the elements are connected in all topologically possible ways. In the following step, the topological building blocks are substituted by chemical structural fragments resulting in a set of all chemical structures consistent with the input information. 相似文献
123.
124.
R. B. King 《Russian Chemical Bulletin》1993,42(8):1283-1291
Methods derived from topology and graph theory indicate that the deltahedral boranes B
n
H
n
2– and the corresponding carboranes C2Bn–2H
n
(6 n 12) may be regarded as three-dimensional delocalized aromatic systems in which surface bonding and core bonding correspond to -bonding and -bonding, respectively, in planar polygonal two-dimensional hydrocarbons CinnH
n
(n–6)+ (n=5/7). The two extreme types of topologies which may be used to model core bonding in deltahedral boranes and carboranes are the deltahedral (D
n
) topology based on the skeleton of the underlying deltahedron and the complete (K
n
) topology based on the corresponding complete graph. Analyses of the Hoffmann-Lipscomb LCAO extended Hückel computations, the Armstrong—Perkins—Stewart self-consistent molecular orbital computations, and SCF MOab initio GAUSSIAN-82 computations on B6H6
2– indicate that the approximation of the atomic orbitals by the sum of the molecular orbitals, as is typical in modernab initio computations, leads to significantly weaker apparent core bonding approximated more closely by deltahedral (D
n
) topology than by complete (K
n
) topology.This work was presented at the Workshop The Modern Problems of Heteroorganic Chemistry sponsored by the A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences (May 8–13, 1993).Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1353–1360, August, 1993. 相似文献
125.
126.
Horst Elmar Winkelnkemper 《Annals of Global Analysis and Geometry》1992,10(3):209-218
Let
t
be the flow (parametrized with respect to arc length) of a smooth unit vector field v on a closed Riemannian manifold M
n
, whose orbits are geodesics. Then the (n-1)-plane field normal to v, v, is invariant under d
t
and, for each x M, we define a smooth real function
x
(t) : (1 +
i
(t)), where the i(t) are the eigenvalues of AA
T, A being the matrix (with respect to orthonormal bases) of the non-singular linear map d2t
, restricted to v at the point x
-t M
n.Among other things, we prove the
Theorem (Theorem II, below). Assume v is also volume preserving and that
x
'
(t) 0 for all x M and real t; then, if
x
t
: M M is weakly missng for some t, it is necessary that vx 0 at all x M. 相似文献
127.
In this paper, we study the algebraic connectivity of a Hamiltonian graph, and determine all Hamiltonian graphs whose algebraic connectivity attain the minimum among all Hamiltonian graphs on n vertices. 相似文献
128.
Treewidth is a graph parameter of fundamental importance to algorithmic and structural graph theory. This article surveys several graph parameters tied to treewidth, including separation number, tangle number, well‐linked number, and Cartesian tree product number. We review many results in the literature showing these parameters are tied to treewidth. In a number of cases we also improve known bounds, provide simpler proofs, and show that the inequalities presented are tight. 相似文献
129.
130.