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Now showing items 51-60 of 1012

A simple potential model criterion for the quality of atomic charges

de Oliveira, AE; Guadagnini, PH; Haiduke, RLA; Bruns, RE (Amer Chemical SocWashingtonEUA, 1999)

A Carbon-13 Nmr Study Of New 4-substituted Neostigmine Methyl Sulphates: Correlations Of Substituent-induced Chemical Shifts With Substituent Parameters

Rittner R.; Barbarini J.E. (, 2000)

Computation of (3)J(HH) coupling constants with a combination of density functional theory and semiempirical calculations. Application to complex molecules

Richter, Wagner E.; Pontes, Rodrigo M.; Abiko, Layara A.; Gauze, Gisele F.; Basso, Ernani A. (ElsevierAmsterdam, 2012)

Inter-regional variation on leaf surface defenses in native and non-native Centaurea solstitialis plants

Sotes, Gastón J.; Cavieres, Lohengrin A.; Montesinos, Daniel; Pereira Coutinho, Antonio Xavier; José Pelaez, Walter; Lopes, Susana; Pinho e Melo, Teresa M. V. D. (Elsevier, 2015)

Plant chemical defenses can be qualitative (toxins) to face generalist herbivores and quantitative (digestibility reducers) to specialists. Trichomes can produce chemicals, but also acts as a quantitative defense and in ...

Regime shifts in coastal lagoons: Evidence from free-living marine nematodes

Netto, Sergio A.; Fonseca, Gustavo [UNIFESP] (Public Library Science, 2017)

We test the validity of using the regime shift theory to account for differences in environmental state of coastal lagoons as a response to variation in connectivity with the sea, using free-living nematodes as a surrogate. ...

Heavy Halogen Atom Effect on C-13 NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

Neto, AC; Ducati, LC; Rittner, R; Tormena, CF; Contreras, RH; Frenking, G (Amer Chemical SocWashingtonEUA, 2009)

Metabolical shifts towards alternative BTEX biodegradation intermediates induced by perfluorinated compounds in firefighting foams

Universidade Estadual Paulista (Unesp) (2017-01-01)

The type and concentration of perfluorinated compounds (PFCs) can induce different types of enzymes and promote alternate patterns of BTEX transformation. However, it is not known how the presence of active fluorocarbon-degrading ...

Electronic structure, molecular properties and electronic currents of the luminescent [Au-3(CH3N=COCH3)(3)] cluster

Munoz Castro, A.; Carey, D. Mac Leod; Arratia Perez, R. (ELSEVIER SCIENCE BV, 2009)

All-electron scalar and spin-orbit relativistic DFT calculations were carried out for the luminescent aurophilic triangulo-core [Au-3(CH3N=COCH3)(3)] cluster. Here we report the electronic structure, the calculated absorption ...

Testing the trend towards specialization in herbivore-host plant associations using a molecular phylogeny of Tomoplagia (Diptera : Tephritidae)

Yotoko, KSC; Prado, PI; Russo, CAM; Solferini, VN (Academic Press Inc Elsevier ScienceSan DiegoEUA, 2005)

Orbital interactions and their effects on C-13 NMR chemical shifts for 4,6-disubstituted-2,2-dimethyl-1,3-dioxanes. A theoretical study

Tormena, CF; Dias, LC; Rittner, R (Amer Chemical SocWashingtonEUA, 2005)

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