نتایج جستجو برای: transition state

تعداد نتایج: 1072248  

2003
Kian Pakzad Guilherme Lúcio Abelha Mota Margareth Simões Meirelles Heitor Luiz da Costa Coutinho Raul Queiroz Feitosa

This paper describes a procedure for a multitemporal interpretation of vegetation areas in Brazil using Landsat TM images. We started with a monotemporal interpretation of the first epoch of the scene by using both spectral and structural features. For interpretation of temporal changes we discretely described temporal conditions of regions, and transferred the most probable temporal changes of...

Journal: :journal of physical & theoretical chemistry 2004
issa yavari vahideh hadigheh-rezvan mohsen dadgar

ab initio calculations at hf/6-31g* level of theory for geometry optimization and mp2/6-31g*//hf/6-31g* for a single point total energy calculation are reported for the importantenergy-minimum conformations and transition-state geometries of 1, 3-diazacyclohepta-1, 2-diene (2) and 1, 3-diazacycloocta-1, 2-diene (3). the c2 symmetric twist-chair (2-tc)conformation of 2 is calculated to be 7.4 kj...

2003
Ahmed H. Zewail Arthur Amos Noyes

Since the early days of the transition-state theory of Eyring, Evans and Polanyi,' the fleeting nature of the state as the reaction proceeds from reagents to products has been known. The lifetime of the state is typically s, and hence to observe these transition states in real time the temporal resolution must be on the femtosecond scale. Progress has been made in probing transition states of e...

2007
Donald G. Truhlar Bruce C. Garrett

Transition state theory (TST) 1 is the most widely used theory for calculating rates of bimolecular eactions occurring in the gas phase and in condensed phases. TST is also incorporated into the widely used RRKM theory for unimolecular reactions. The popularity of TST is largely due to its simplicity and its usefulness for correlating trends in reaction rates in terms of easily interpreted quan...

Journal: :J. Log. Algebr. Program. 2008
Giuseppe Scollo Giuditta Franco Vincenzo Manca

Basic concepts of classical dynamics are analysed in the simple mathematical setting of state transition systems, where both time and space are discrete, and no structure is assumed on the state space besides a binary transition relation. This framework proves useful to the dynamical analysis of computations and biomolecular processes. Here a relational formulation of this framework is presente...

Journal: :CoRR 2012
Xiaojun Zhou Chunhua Yang Weihua Gui

In terms of the concepts of state and state transition, a new heuristic random search algorithm named state transition algorithm is proposed. For continuous function optimization problems, four special transformation operators called rotation, translation, expansion and axesion are designed. Adjusting measures of the transformations are mainly studied to keep the balance of exploration and expl...

Journal: :Formalized Mathematics 2009
Michal Trybulec

For simplicity, we adopt the following convention: x, x1, x2, y, y1, y2, z, z1, z2, X, X1, X2 are sets, E is a non empty set, e is an element of E, u, v, v1, v2, w, w1, w2 are elements of Eω, F , F1, F2 are subsets of Eω, and k, l are natural numbers. Next we state a number of propositions: (1) For every finite sequence p such that k ∈ dom p holds (〈x〉 a p)(k+ 1) = p(k). (2) For every finite se...

2010
Marc Frappier Frédéric Gervais Régine Laleau Benoı̂t Fraikin

This paper introduces a graphical notation called algebraic state transition diagrams (ASTD), which allows for the combination of state transition diagrams using classical process algebra operators like sequence, iteration, parallel composition, quantified choice and quantified synchronization. It is inspired from automata, statecharts and process algebras. Hence, it combines the strength of al...

Journal: :Higher-Order and Symbolic Computation 2007
David A. Schmidt

In the autumn of 1978, Neil Jones and Steve Muchnick, working at the University of Kansas, were studying compiler synthesis from Scott-Strachey denotational-semantics definitions; I was Neil’s student. Neil read intently John Reynolds’s 1972 paper, Definitional Interpreters for Higher-Order Programming Languages [14], and applied Reynolds’s continuation-passing and defunctionalization transform...

Journal: :Formalized Mathematics 2009

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