Results 301 to 310 of about 11,627,235 (359)
Conformational, Steric, and Stereoelectronic Effects [PDF]
, 1984 The total energy of a molecule is directly related to its geometry. Several aspects of molecular geometry can be recognized, and, to some extent, the energetic consequences can be dissected and attributed to specific structural features. Among the factors which contribute to total energy and have a recognizable connection with molecular geometry are ...
Francis A. Carey, Richard J. Sundberg
openaire +1 more source
σ‐Correlations and steric effects [PDF]
Organic Magnetic Resonance, 1982 AbstractCarbon‐1 shifts in 1‐dimethylimino‐3‐dimethylamino‐1‐(4‐substituted)phenylprop‐2‐ene perchlorates show high correlation and negative dependence v. a σ set having high f character, similar to α and carbonyl carbon shifts in 4‐substituted styrenes and N,N‐dimethylbezamides, respectively.
S. N. Balasubrahmanyam, I. M. Mallick
openaire +1 more source
Conformational and Other Steric Effects [PDF]
, 1977 The total energy of a molecule is directly related to its geometry. Several aspects of molecular geometry can be recognized, and, to some extent, the energetic consequences can be dissected and attributed to specific structural features. The features that are of greatest significance in organic chemistry are nonbonded interactions, both repulsive and ...
Francis A. Carey, Richard J. Sundberg
openaire +1 more source
Some of the next articles are maybe not open access.
Related searches:
Related searches:
Steric effects in dispersion forces interactions
Physical Review E, 2008Classically, there have been two different ways to obtain mean-field theories for liquid crystals. One is based on short-range repulsive steric forces and the other on long-range attractive dispersion forces. In the former approach, it is the anisotropic shape of the molecules that leads to the anisotropic interaction, and in the latter it is the ...
SONNET A. M +1 more
openaire +5 more sources
Steric Effects and Solvent Effects in Ionic Reactions
Science, 2002Rates of S N 2 reactions of chloride ion with methyl- and tert -butyl–substituted chloroacetonitrile were measured by using Fourier transform–ion cyclotron resonance spectrometry to follow the isotopic exchange reaction.
Stephen L. Craig +2 more
openaire +3 more sources
Developing a Modern Approach To Account for Steric Effects in Hammett-Type Correlations.
Journal of the American Chemical Society, 2016The effects of aryl ring ortho-, meta-, and para-substitution on site selectivity and enantioselectivity were investigated in the following reactions: (1) enantioselective Pd-catalyzed redox-relay Heck reaction of arylboronic acids, (2) Pd-catalyzed β ...
Celine B. Santiago, Anat Milo, M. Sigman
semanticscholar +1 more source
Journal of the American Chemical Society, 2016
The factors controlling the reactivities and stereoselectivities in the Diels-Alder reactions of substituted cyclopropenes with butadiene were explored with M06-2X density functional theory.
Brian J. Levandowski, K. Houk
semanticscholar +1 more source
The factors controlling the reactivities and stereoselectivities in the Diels-Alder reactions of substituted cyclopropenes with butadiene were explored with M06-2X density functional theory.
Brian J. Levandowski, K. Houk
semanticscholar +1 more source
Steric effects on atropisomerism in tetraarylporphyrins
Journal of the American Chemical Society, 1987AbstractThe rate of aryl ring rotation in the series of porphyrins (I) is studied by NMR spectroscopy and chromatography.
Leslie D. Field +4 more
openaire +3 more sources
Steric Effects of Solvent Molecules on SN2 Substitution Dynamics.
Journal of Physical Chemistry Letters, 2017Influences of solvent molecules on SN2 reaction dynamics of microsolvated F-(H2O)n with CH3I, for n = 0-3, are uncovered by direct chemical dynamics simulations.
Xu Liu +4 more
semanticscholar +1 more source
, 2018
The stable redox properties of ferrocene/ferrocenium have been used to investigate ferrocene-based functional materials. Herein, the steric effects of an exterior cage on the redox properties of interior metallocenes have been investigated using cyclic ...
H. Takashima +5 more
semanticscholar +1 more source
The stable redox properties of ferrocene/ferrocenium have been used to investigate ferrocene-based functional materials. Herein, the steric effects of an exterior cage on the redox properties of interior metallocenes have been investigated using cyclic ...
H. Takashima +5 more
semanticscholar +1 more source