Results 1 to 10 of about 62,822 (157)
Structural Chemistry, 2001 Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12.
Bollini, Carlos Guido +3 more
openaire +3 more sources
Verifying the PCP-rule by five-center bond indices [PDF]
Journal of the Serbian Chemical Society, 2009 According to the recently discovered PCP-rule, the (stabilizing) energy-effect of the cyclic conjugation in the 5-membered ring of acenaphthylene- and fluoranthene-type polycyclic conjugated hydrocarbons increases with the number of phenyl ...
JELENA ĐURĐEVIĆ +2 more
doaj +3 more sources
Brain, Behavior, & Immunity - Health, 2023 Lacticaseibacillus paracasei Lpc-37 (Lpc-37) has previously shown to reduce perceived stress in healthy adults. The ChillEx study investigated whether Lpc-37 reduces stress in a model of chronic examination stress in healthy students.
Sanna M. Mäkelä +13 more
doaj +1 more source
How does aromaticity rule the thermodynamic stability of hydroporphyrins? [PDF]
, 2011 Several measures of aromaticity including energetic, magnetic, and electron density criteria are employed to show how aromatic stabilization can explain the stability sequence of hydroporphyrins, ranging from porphin to octahydroporphin, and their ...
Bultinck, Patrick +5 more
core +2 more sources
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices [PDF]
, 2010 Several definitions of an atom in a molecule (AIM) in three-dimensional (3D) space, including both fuzzy and disjoint domains, are used to calculate electron sharing indices (ESI) and related electronic aromaticity measures, namely, Iringand multicenter ...
Bultinck, Patrick +4 more
core +1 more source
Ab initio prediction of Boron compounds arising from Borozene: Structural and electronic properties [PDF]
, 2009 Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings has been studied by means of first principles calculations, based on the generalized-gradient approximation of the density functional theory, and the ...
A Janotti +41 more
core +3 more sources
Colorectal cancer screening with fecal occult blood test: A 22-year cohort study. [PDF]
, 2013 The aim of the present study was to investigate the efficacy of colorectal cancer (CRC) screening with a three-tier fecal occult blood test (FOBT) in the Chinese population.
Cui, Xin-Juan +10 more
core +1 more source
Why 1,2‑quinone derivatives are more stable than their 2,3‑analogues? [PDF]
, 2015 In this work, we have studied the relative stability of 1,2- and 2,3-quinones. While 1,2-quinones have a closed-shell singlet ground state, the ground state for the studied 2,3-isomers is open-shell singlet, except for 2,3-naphthaquinone that has a ...
Dominikowska, Justyna +6 more
core +2 more sources
Multicenter, randomized study to optimize bowel for colon capsule endoscopy [PDF]
, 2017 AIM To assess the cleansing efficacy and safety of a new Colon capsule endoscopy (CCE) bowel preparation regimen. METHODS This was a multicenter, prospective, randomized, controlled study comparing two CCE regimens. Subjects were asymptomatic and average
Burch, Wilmot C., Jr +8 more
core +2 more sources
Electronic structure and physical properties of the spinel-type phase of BeP2N4 from all-electron density functional calculations [PDF]
, 2011 Using density-functional-theory-based ab initio methods, the electronic structure and physical properties of the newly synthesized nitride BeP2N4 with a phenakite-type structure and the predicted high-pressure spinel phase of BeP2N4 are studied in detail.
B. Delley +7 more
core +1 more source