Results 31 to 40 of about 10,690,430 (278)
Frontiers in Behavioral Neuroscience, 2019 Olfaction induces adaptive motivated behaviors. Odors associated with food induce attractive behavior, whereas those associated with dangers induce aversive behavior.
Koshi Murata +10 more
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Dienophilic reactivity of 2-phosphaindolizines: a conceptual DFT investigation
Beilstein Journal of Organic Chemistry, 2022 The >C=P– or –N=P– functionality in 1,3-azaphospholo[1,5-a]pyridine, named as 2-phosphaindolizine and its 1- and 3-aza derivatives act as dienophiles and undergo Diels–Alder reactions with 1,3-dienes.
Nosheen Beig +2 more
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Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity [PDF]
, 2016 Indexación: Web of ScienceTheoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity.
Domingo, Luis R. +2 more
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Analysis of chemical reactivity of aminocyclopyrachlor herbicide through the Fukui function [PDF]
Journal of the Serbian Chemical Society, 2015 We have calculated global and local DFT reactivity descriptors for aminocyclopyrachlor herbicide at the MP2/6-311++G (2d,2p) level of theory in the aqueous phase.
Mendoza-Huizar Luis Humberto
doaj +1 more source
Dynamics of a Generalized Cosmological Scalar-Tensor Theory [PDF]
, 2002 A generalized scalar-tensor theory is investigated whose cosmological term depends on both a scalar field and its time derivative. A correspondence with solutions of five-dimensional Space-Time-Matter theory is noted. Analytic solutions are found for the
Banerjee A. +7 more
core +3 more sources
Extracting partition function zeros from Fukui-Todo simulations [PDF]
EPL (Europhysics Letters), 2021 submitted to ...
P. Sarkanych +3 more
openaire +2 more sources
Chemical Physics Impact, 2023 Stability of (CeO2)n0,±1(n=1-3) clusters and adsorption of CO and H2O as well as co-adsorption of CO/H2O species on the same clusters are studied using M06L/def2TZVPP level of theory. We have considered this study as this fundamental investigation may be
Partha Pratim Churi +6 more
doaj +1 more source
Sirt1 expression is associated with CD31 expression in blood cells from patients with chronic obstructive pulmonary disease [PDF]
, 2016 Background: Cigarette smoke induced oxidative stress has been shown to reduce silent information regulator 1 (Sirt1) levels in lung tissue from smokers and patients with COPD patients.
Akai, Masaya +11 more
core +2 more sources
A DFT study of the chemical reactivity of thiobencarb and its oxidized derivatives in aqueous phase [PDF]
Journal of the Serbian Chemical Society, 2018 In the present work, the global and local reactivity of S-(4-chlorobenzyl)- N,N-diethylthiocarbamate (TB) and its oxidized derivatives (sulfone (TBSu) and sulfoxide (TBS) were analyzed. In addition, the chemical reactivities of the dechlorinated forms of
Mendoza-Huizar Luis Humberto
doaj +1 more source
Condensation of Frontier Molecular Orbital Fukui Functions
The Journal of Physical Chemistry A, 2003 A comparison of the regional Fukui index evaluation within the frontier molecular orbital (FMO) Fukui functions is presented. The atoms-in-molecules (AIM) real space-based condensation scheme is compared against a basis set-based condensation scheme and the reliability of the produced reactivity trends is compared. The AIM condensation scheme turns out
Bulat, Felipe A. +3 more
openaire +8 more sources