Acyclic molecules with greatest HOMO–LUMO separation
نویسندگان
چکیده
منابع مشابه
Variable Side Conditions and Greatest Relations in Algebraic Separation Logic
When reasoning within separation logic, it is often necessary to provide side conditions for inference rules. These side conditions usually contain information about variables and their use, and are given within a meta-language, i.e., the side conditions cannot be encoded in separation logic itself. In this paper we discuss different possibilities how side conditions of variables—occurring e.g....
متن کاملOn Separation of Concurrency and Conflicts in Acyclic Process Models
Recently, a new approach for structuring acyclic process models has been introduced. The algorithm is based on a transformation between the Refined Process Structure Tree (RPST) of a control flow graph and the Modular Decomposition Tree (MDT) of ordering relations. In this paper, an extension of the algorithm is presented that allows to partially structure process models in the case when a proc...
متن کاملQuantum interference in acyclic systems: conductance of cross-conjugated molecules.
We calculate that significant quantum interference effects can be observed in elastic electron transport through acyclic molecules. Interference features are evident in the transmission characteristics calculated for cross-conjugated molecules; significantly, these effects dominate the experimentally observable conduction range. The unusual transport characteristics of these molecules are highl...
متن کاملAlkanes with Greatest Estrada Index
Several hundreds of so-called molecular structuredescriptors were proposed in the chemical literature [1] and are used for modeling of various physical and chemical properties of (mainly) organicmolecules. In general, a molecular structure-descriptor is a number, usually computed from the molecular graph [2, 3], that reflects certain topological features [4, 5] of the underlying molecule. Many ...
متن کاملEntropic recoil separation of long DNA molecules.
A novel technique that can rapidly separate long-strand polymers according to length is presented. The separation mechanism is mediated by a confinement-induced entropic force at the abrupt interface between regions of vastly different configuration entropy. To demonstrate this technique, DNA molecules were partially inserted into a dense array of nanopillars (an entropically unfavorable region...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Discrete Applied Mathematics
سال: 1999
ISSN: 0166-218X
DOI: 10.1016/s0166-218x(99)00119-5