Results 11 to 20 of about 256,202 (345)

UNA PROPUESTA PARA ENSEÑAR EL EFECTO DE LA FORMA DE LAS MOLÉCULAS EN LA REACTIVIDAD QUÍMICA

Química Nova, 2015
We address the concept of steric effect in the pursuit of establishing quantitative correlations between reactivity of molecules and their molecular shape.
José G. Cermeños-Estrada, John J. Pérez-Moncada, Daniel Barragán   +2 more
doaj   +1 more source

In silico geometric and energetic data of all possible simple rotamers made of non-metal elements

Data in Brief, 2020
This article presents theoretical data on geometric and energetic features of halogenated rotamers of the following backbone structures, CC, NN, PP, OO, SS, NP, OS, CN, CP, CO, CS, NO, NS, PO and PS.
Taweetham Limpanuparb, Sopanant Datta, Kridtin Chinsukserm, Peerayar Teeraniramitr   +3 more
doaj   +1 more source

Steric Effects on Electroosmotic Nano-Thrusters under High Zeta Potentials

Mathematics, 2021
Here, space electroosmotic thrusters in a rigid nanochannel with high wall zeta potentials are investigated numerically, for the first time, considering the effect of finite size of the ionic species. The effect, which is called a steric effect, is often
Jiaxuan Zheng, Siyi An, Yongjun Jian
doaj   +1 more source

Hypervariability of accessible and inaccessible conformational space of proteins

Current Research in Structural Biology, 2021
Proteins undergo motions in a range of amplitudes, from domain motions to backbone rotations, leading to changes in (φ,ψ) torsion angles and small-scale bond vibrations and angle bending.
Ashraya Ravikumar, Narayanaswamy Srinivasan   +1 more
doaj   +1 more source

El Niño, La Niña, and the global sea level budget [PDF]

Ocean Science, 2016
Previous studies show that nonseasonal variations in global-mean sea level (GMSL) are significantly correlated with El Niño–Southern Oscillation (ENSO).
C. G. Piecuch, K. J. Quinn
doaj   +1 more source

para-Selective C-H amidation of simple arenes with nitriles [PDF]

, 2015
A para-selective C-H amidation of simple arenes with nitriles has been developed. By increasing the amount of arenes, a further meta-selective C-H arylation of the produced amides occurred.
Allen, Allen, Antonchick, Casitas, Chen, Fañanás-Mastral, Gao, Grohmann, Guérinot, Harvey, He, He, Hsieh, Huffman, Ichiishi, Ichiishi, Kantak, Kawano, Kim, Kim, King, Li, Li, Louillat, Lv, Marchetti, Matsuda, Nadres, Ng, Ng, Ng, Ng, Peng, Phipps, Phipps, Pialat, Ryu, Ryu, Shai, Shin, Shrestha, Skucas, Sokolovs, Su, Tew, Thomas, Thu, Tran, Tsang, Valeur, Wang, Wang, Wang, Xiang, Xu, Yoo, Zhang, Zhang, Zhang, Zhao   +59 more
core   +2 more sources

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, Iwama, Etsuro, Segalini, Julie, Simon, Patrice, Taberna, Pierre-Louis   +4 more
core   +4 more sources

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, Dominic J. Williamson, Campbell M. Brooks, Alex L. Wilson, Prof. Paul L. A. Popelier   +4 more
doaj   +1 more source

π-Bond Screening in Benzonorbornadienes: The Role of 7-Substituents in Governing the Facial Selectivity for the Diels-Alder Reaction of Benzonorbornadienes with 3,6-Di(2-pyridyl)-s-Tetrazine

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
doaj   +1 more source

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 spectrophotometric method.
ALEKSANDAR D. MARINKOVIC, FATHI H. ASSALEH, BRATISLAV Z. JOVANOVIC   +2 more
doaj   +3 more sources