scholarly journals Three-Center Configuration with Four,Three, and Two Electrons for Carbon,Boron, Hydrogen, and Halogen Exchange. A Model and Theoretical Study with Experimental Evidence

2014 ◽  
Vol 04 (02) ◽  
pp. 33-43 ◽  
Author(s):  
Henk M. Buck
Keyword(s):  
Experimental Evidence ◽  
Theoretical Study ◽  
Center Configuration ◽  
Halogen Exchange

scholarly journals First experimental evidence of the third conformer of glycolic acid: combined matrix isolation, FTIR and theoretical study

2004 ◽  
Vol 389 (1-3) ◽  
pp. 68-74 ◽  
Author(s):  
Igor D Reva ◽  
Susana Jarmelo ◽  
Leszek Lapinski ◽  
Rui Fausto
Keyword(s):  
Experimental Evidence ◽  
Glycolic Acid ◽  
Theoretical Study ◽  
Matrix Isolation ◽  
The Third ◽  
Combined Matrix

Theoretical study for conformational analysis and kinetics on the internal halogen exchange thermally induced of trichloro-(1,1-difluoroethyl)silane in the gas phase

2019 ◽  
Vol 1150 ◽  
pp. 102-109 ◽  
Author(s):  
Yeljair Monascal ◽  
Alexis Maldonado ◽  
Loriett Cartaya ◽  
Alvaro Alvarez-Aular
Keyword(s):  
Conformational Analysis ◽  
Gas Phase ◽  
Theoretical Study ◽  
Thermally Induced ◽  
Halogen Exchange

scholarly journals Multiple intra-tube junctions in the inner tube of peapod-derived double walled carbon nanotubes: theoretical study and experimental evidence

Nanoscale ◽  
2012 ◽  
Vol 4 (1) ◽  
pp. 130-136 ◽  
Author(s):  
Ziwei Xu ◽  
Hui Li ◽  
Kazunori Fujisawa ◽  
Yoong Ahm Kim ◽  
Morinobu Endo ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Experimental Evidence ◽  
Theoretical Study ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

A theoretical study of adiabatic proton transfer to simple substituted allenes in their ground and excited states

1989 ◽  
Vol 67 (12) ◽  
pp. 2188-2195 ◽  
Author(s):  
Peter S. Martin ◽  
Keith Yates ◽  
Imre G. Csizmadia
Keyword(s):  
Proton Transfer ◽  
Experimental Evidence ◽  
Excited States ◽  
Ground State ◽  
Electronic Structures ◽  
Theoretical Study ◽  
Graphical Representation ◽  
Proton Affinities ◽  
Critical Comparison ◽  
Theoretical Predictions

RHF-SCF 3-21G calculations are reported for the 1A′, 1,3A″, 12A′, and 1,32A″ states of simple substituted allenes YCHCCH2, where Y = CH3, H, F, Cl, CF3, and the 1A′ and 1,3A″ states of their Markovnikov (M) and anti-Markovnikov (aM) cations, CHYCHCH2+ and CHYCCH3+, respectively. Equilibrium electronic structures and the mechanism of adiabatic protonation are described qualitatively in terms of Lewis/resonance schematic representations. Calculated proton affinities (PA) suggest that relative to the ground state (1A′), the excited states 1,32A″ are of greatly enhanced basicity with respect to protonation at either regiocenter. A graphical representation of PA(M) versus PA(aM) leads to the following conclusions: (1) irrespective of both regiocenter (M/aM) and state (1A′/32A″/12A″), the PA's for YCHCCH2 decrease with respect to Y in the order CH3 > H > Cl > CF3; (2) the F-substituent gives a PA value greater than that for H- in the ground state, but less than that for H- in the two excited states; (3) for all substituents Y, including CF3, protonation of both 1A′ and 12A″ is predicted to be regioselective in the M direction; (4) regardless of Y, 32A″ exhibits no significant protonation regioselectivity. Critical comparison of these theoretical predictions is made with available experimental evidence. Keywords: proton transfer, excited states, photohydration, allenes.

Metastability of phase transitions and the tensile strength of liquids

1977 ◽  
Vol 357 (1690) ◽  
pp. 395-402 ◽  
Keyword(s):  
Tensile Strength ◽  
Phase Transitions ◽  
Experimental Evidence ◽  
Theoretical Study ◽  
Theory And Experiment

It is shown that the apparently different ‘nucleation’ and ‘equilibrium’ approaches to the theoretical study of the tensile strength of a liquid can be synthesized. The combined theory can be applied to a supercooled vapour or to a liquid under tension or superheated. Either approach leads to the conclusion that the predicted tensile strength is extremely insensitive to the ‘time of doing an experiment’, provided that we do not make this time actually zero or infinite. Available experimental evidence on the tensile strength of liquids, including some very recent improvements in the Berthelot tube method, is surveyed and it is concluded that a very sub­stantial measure of agreement between theory and experiment now exists.

Cyclization or Hydrogen Migration:  Theoretical Study and Experimental Evidence on the Reactivities of Unsaturated Amidyl Radicals

2005 ◽  
Vol 7 (8) ◽  
pp. 1625-1627 ◽  
Author(s):  
Qian Chen ◽  
Meihua Shen ◽  
Yu Tang ◽  
Chaozhong Li
Keyword(s):  
Experimental Evidence ◽  
Theoretical Study ◽  
Hydrogen Migration

How do memory modules differentially contribute to familiarity and recollection?

2019 ◽  
Vol 42 ◽  
Author(s):  
Olya Hakobyan ◽  
Sen Cheng
Keyword(s):  
Recognition Memory ◽  
Experimental Evidence ◽  
Subjective Experience ◽  
Target Article ◽  
Memory Modules ◽  
Familiarity And Recollection ◽  
Memory Contents

Abstract We fully support dissociating the subjective experience from the memory contents in recognition memory, as Bastin et al. posit in the target article. However, having two generic memory modules with qualitatively different functions is not mandatory and is in fact inconsistent with experimental evidence. We propose that quantitative differences in the properties of the memory modules can account for the apparent dissociation of recollection and familiarity along anatomical lines.

Redox Reactions in Lipid Membranes as a Model for Primordial Energy-Conserving Systems

1997 ◽  
Vol 161 ◽  
pp. 437-442
Author(s):  
Salvatore Di Bernardo ◽  
Romana Fato ◽  
Giorgio Lenaz
Keyword(s):  
Experimental Evidence ◽  
Lipid Membranes ◽  
Energy Supply ◽  
Redox Reactions ◽  
Living Systems ◽  
Asymmetric Distribution ◽  
Conservation Of Energy ◽  
Asymmetrical Distribution ◽  
Energy Conserving ◽  
Living Organisms

AbstractOne of the peculiar aspects of living systems is the production and conservation of energy. This aspect is provided by specialized organelles, such as the mitochondria and chloroplasts, in developed living organisms. In primordial systems lacking specialized enzymatic complexes the energy supply was probably bound to the generation and maintenance of an asymmetric distribution of charged molecules in compartmentalized systems. On the basis of experimental evidence, we suggest that lipophilic quinones were involved in the generation of this asymmetrical distribution of charges through vectorial redox reactions across lipid membranes.

Sign in / Sign up

Export Citation Format

Share Document