Results 21 to 30 of about 271,466 (344)
Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?
ChemistryOpen, 2019 We show that the mutual, through‐space compression of atomic volume experienced by approaching topological atoms causes an exponential increase in the intra‐atomic energy of those atoms, regardless of approach orientation. This insight was obtained using
Benjamin C. B. Symons +4 more
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Molecules, 2001 Benzonorbornadiene 21, 7-spirocyclopropylbenzonorbornadiene 23, 7,7-dimethylbenzonorbornadiene 25, and 7-spirocyclopentylbenzonorbornadiene 27 have been reacted with 3,6-di(2-pyridyl)-s-tetrazine (rate: 21>23>25=27) to form symmetrical 4,5 ...
Peter A. Harrison, Ronald N. Warrener
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Steric effects in adsorption of ions from mixed electrolytes into microporous carbon [PDF]
, 2012 With the goal to improve the capacitance in electrochemical double-layer capacitors (EDLCs) many studies on pore size/ion size relationship have been undertaken to achieve a better understanding of the charge storage mechanism in the electrochemical ...
Gogotsi, Yury +4 more
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Kinetics of the reaction of 5-substituted orotic acids with diazodiphenylmethane [PDF]
Journal of the Serbian Chemical Society, 2004 Rate konstants for the reaction of eight 5-substituted orotic acids with diazodiphenylmethane (DDM) in dimethylformamide (DMF) were determined at 30 ºC by the known spectrophotometricmethod.
Jovanović Bratislav Ž. +2 more
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Beilstein Journal of Organic Chemistry, 2011 A broad perspective of various factors influencing alkene selenenylation has been developed by concurrent detailed analysis of key experimental and theoretical data, such as asymmetric induction, stereochemistry, relative reactivities, and comparison ...
Vadim A. Soloshonok, Donna J. Nelson
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Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization
Molecules, 2018 Cis/trans isomerization of amide bonds is a key step in a wide range of biological and synthetic processes. Occurring through C-N amide bond rotation, it also coincides with the activation of amides in enzymatic hydrolysis.
Balmukund S. Thakkar +2 more
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Bi-steric mTORC1 inhibitors induce apoptotic cell death in tumor models with hyperactivated mTORC1
The Journal of Clinical Investigation, 2023 The PI3K/AKT/mTOR pathway is commonly dysregulated in cancer. Rapalogs exhibit modest clinical benefit, likely owing to their lack of effects on 4EBP1. We hypothesized that bi-steric mTORC1-selective inhibitors would have greater potential for clinical ...
Heng Du +8 more
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Topological Steric Effect Index and Its Application. [PDF]
ChemInform, 2004 This paper proposed a Topological Steric Effect Index (TSEI) of a group based on the relative specific volume of the reaction center screened by the atoms of the substituents. Investigated results show good correlations between the parameter TSEI and the dihedral angles between both phenyl rings determined by photoelectron spectroscopy for 7 ...
Chenzhong, Cao, Li, Liu
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Islands of conformational stability for Filopodia [PDF]
, 2013 Filopodia are long, thin protrusions formed when bundles of fibers grow outwardly from a cell surface while remaining closed in a membrane tube.
A Mogilner +21 more
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ChemistryOpen, 2019 A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of theory ...
Sunel de Kock +2 more
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