Results 31 to 40 of about 4,191,932 (286)

Comparative study of experimental and computational procedures for the calculation of molecular lipophilicity

open access: yesSaúde & Tecnologia, 2015
Background – The lipophilicity is one of the physicochemical properties that most influences the ability of a molecule to move through biological compartments.
Gonçalo Clemente
doaj   +1 more source

Estudo comparativo de procedimentos experimentais e computacionais para cálculo da lipofilia molecular

open access: yesSaúde & Tecnologia, 2011
Introdução – A lipofilia é uma das propriedades físico-químicas que mais influencia a capacidade de uma molécula se movimentar através de compartimentos biológicos.
Gonçalo Clemente
doaj   +1 more source

Dense Subgraphs in Random Graphs

open access: yes, 2018
For a constant $\gamma \in[0,1]$ and a graph $G$, let $\omega_{\gamma}(G)$ be the largest integer $k$ for which there exists a $k$-vertex subgraph of $G$ with at least $\gamma\binom{k}{2}$ edges.
Balister, Paul   +3 more
core   +1 more source

Octanol/water distribution coefficients of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates: Comparison of the IEFPCM-UFF, CPCM, and SMD solvation models [PDF]

open access: yes, 2010
The octanol/water distribution coefficients (log D~ow~) of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates (PFSAs) were calculated using the M062X/6-311++G(d,p) and MP2/6-311++G(d,p)//M062X/6-311++G(d,p) levels of theory and the IEFPCM-UFF, CPCM, and ...
Kaya Forest, Sierra Rayne
core   +2 more sources

Steiner Forest Orientation Problems [PDF]

open access: yes, 2011
We consider connectivity problems with orientation constraints. Given a directed graph $D$ and a collection of ordered node pairs $P$ let $P[D]=\{(u,v) \in P: D {contains a} uv{-path}}$.
Cygan, Marek, Kortsarz, Guy, Nutov, Zeev
core   +6 more sources

On the Order of $a$ modulo $n$ on Average

open access: yes, 2016
Let $a>1$ be an integer. Denote by $l_a(n)$ the multiplicative order of $a$ modulo integer $n\geq 1$. We prove that there is a positive constant $\delta$ such that if $x^{1-\delta}\log^3 x = o(y)$, then $$ \frac1y \sum_ ...
Kim, Sungjin
core   +1 more source

Distance-Sensitive Planar Point Location [PDF]

open access: yes, 2016
Let $\mathcal{S}$ be a connected planar polygonal subdivision with $n$ edges that we want to preprocess for point-location queries, and where we are given the probability $\gamma_i$ that the query point lies in a polygon $P_i$ of $\mathcal{S}$.
Arya   +25 more
core   +4 more sources

On p-adic vanishing cycles of log smooth families [PDF]

open access: yesTunisian Journal of Mathematics, 2020
In this paper, we will show that the sheaf of p-adic vanishing cycles of a log smooth family over a DVR of mixed characteristic is generated by Milnor symboles. A key ingredient is a computation (due to K. Kato) on the graded quotients of a multi-indexed filtration on the sheaf concerned, which has been used in several papers of the first author.
Saito, Shuji, Sato, Kanetomo
openaire   +4 more sources

The complexity of simulating local measurements on quantum systems [PDF]

open access: yesQuantum, 2019
An important task in quantum physics is the estimation of local quantities for ground states of local Hamiltonians. Recently, [Ambainis, CCC 2014] defined the complexity class ${P}^{{QMA}[{log}]}$, and motivated its study by showing that the physical ...
Sevag Gharibian, Justin Yirka
doaj   +1 more source

Faster polynomial multiplication over finite fields [PDF]

open access: yes, 2014
Let p be a prime, and let M_p(n) denote the bit complexity of multiplying two polynomials in F_p[X] of degree less than n. For n large compared to p, we establish the bound M_p(n) = O(n log n 8^(log^* n) log p), where log^* is the iterated logarithm ...
Harvey, David   +2 more
core   +2 more sources

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