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searching for Solvent effects 91 found (114 total)

Cheletropic reaction (1,611 words) [view diff] no match in snippet view article find links to article

In organic chemistry, cheletropic reactions, also known as chelotropic reactions, are a type of pericyclic reaction (a chemical reaction that involves

Chemical reaction engineering (865 words) [view diff] exact match in snippet view article find links to article

retorts, certain fuel cells, and photocatalytic surfaces. The issue of solvent effects on reaction kinetics is also considered as an integral part. Chemical

Screened Coulomb potentials implicit solvent model (161 words) [view diff] exact match in snippet view article find links to article

potentials implicit solvent model, is a continuum approximation of solvent effects for use in computer simulations of biological macromolecules, such

Potential of mean force (679 words) [view diff] exact match in snippet view article find links to article

system of interest is in a solvent, then the PMF also incorporates the solvent effects. The PMF can be obtained in Monte Carlo or molecular dynamics simulations

Stokes radius (684 words) [view diff] exact match in snippet view article find links to article

closely related to solute mobility, factoring in not only size but also solvent effects. A smaller ion with stronger hydration, for example, may have a greater

Chaperonin (2,320 words) [view diff] exact match in snippet view article find links to article

interactions between the amino acid side chains of each protein, and by solvent effects. Most proteins spontaneously fold into their most stable three-dimensional

Ligand (biochemistry) (3,166 words) [view diff] exact match in snippet view article

affinity is actualized not only by host–guest interactions, but also by solvent effects that can play a dominant, steric role which drives non-covalent binding

Cieplak effect (1,895 words) [view diff] exact match in snippet view article find links to article

agents. The Cieplak effect is subtle, and often competes with sterics, solvent effects, counterion complexation of the carbonyl oxygen, and other effects

Emulsion stabilization using polyelectrolytes (2,416 words) [view diff] no match in snippet view article find links to article

Polyelectrolytes are charged polymers capable of stabilizing (or destabilizing) colloidal emulsions through electrostatic interactions. Their effectiveness

DMol3 (327 words) [view diff] exact match in snippet view article find links to article

1063/1.1316015. J. Andzelm C. Kölmel A. Klamt (1995). "Incorporation of solvent effects into density-functional calculations of molecular energies and geometries"

Molecular dynamics (10,208 words) [view diff] no match in snippet view article find links to article

Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed

Polarizable continuum model (452 words) [view diff] case mismatch in snippet view article find links to article

Mennucci et al. "Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules." J. Phys. Chem. A 2002, 106

2-Pyridone (2,828 words) [view diff] exact match in snippet view article find links to article

2465. doi:10.1021/j100842a001. DW Aksnes (1972). "Substituent and solvent effects in the proton magnetic resonance (PMR) spectra of six 2-substituted

Rhodamine (741 words) [view diff] exact match in snippet view article find links to article

(2014-03-05). "Fluorescence spectroscopy of Rhodamine 6G: Concentration and solvent effects". Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Curcuminoid (641 words) [view diff] exact match in snippet view article find links to article

curcuminoids so they are easily released from the complex by simple solvent effects. The curcumin derivatives demethoxycurcumin and bisdemethoxycurcumin

MOLCAS (785 words) [view diff] exact match in snippet view article find links to article

CASSCF/RASSCF level, using a unique RASSCF State Interaction Method. Solvent effects can be treated by the Onsager spherical cavity model or Polarizable

Coordination sphere (723 words) [view diff] exact match in snippet view article find links to article

[Fe*(H2O)6]2+ + [Fe(H2O)5(OH)]2+ → [Fe(H2O)6]3+ + [Fe*(H2O)5(OH)]2+ Solvent effects on colors and stability are often attributable to changes in the second

Jeremy England (1,067 words) [view diff] case mismatch in snippet view article find links to article

T. Odum England, Jeremy (2009). Theory and Simulation of Explicit Solvent Effects on Protein Folding in Vitro and in Vivo (PhD thesis). ISBN 978-1243607553

Antimony pentachloride (532 words) [view diff] exact match in snippet view article find links to article

Chemicals. McGraw-Hill, 2002, ISBN 0-07-049439-8 V. Gutmann (1976). "Solvent effects on the reactivities of organometallic compounds". Coord. Chem. Rev

Swain–Lupton equation (1,276 words) [view diff] case mismatch in snippet view article find links to article

doi:10.1016/0040-4020(95)00481-M. Swain, C.G. (1984). "Substituent and Solvent Effects on Chemical Reactivity". J. Org. Chem. 49 (11): 2005–2010. doi:10.1021/jo00185a035

Multiphasic liquid (450 words) [view diff] case mismatch in snippet view article find links to article

https://doi.org/10.1039/D3GC00227F Reichardt, C. (2006). Solvents and Solvent Effects in Organic Chemistry. Wiley-VCH. pp. 9–10. ISBN 3-527-60567-3. Chem

Paraoxon (376 words) [view diff] exact match in snippet view article find links to article

Final Report. Davis GT, Demek MM, Sowa JR, Epstein J (1971-08-01). "Solvent effects on displacement of fluoride ion from isopropyl methylphosphonofluoridate"

Fulvenes (477 words) [view diff] case mismatch in snippet view article find links to article

"Ground-State Versus Excited-State Polarity of Triafulvenes: A Study of Solvent Effects on Molecular Electronic Spectra", The Jerusalem Symposia on Quantum

Alan Brisdon (834 words) [view diff] exact match in snippet view article find links to article

A.; Flower, Kevin R.; Pritchard, Robin G.; Quayle, Peter (2014). "Solvent effects in gold-catalysed A3-coupling reactions". Tetrahedron Letters. 55 (1):

Drop tank (1,969 words) [view diff] exact match in snippet view article find links to article

as being waterproof. Since the glue would slowly dissolve from the solvent effects of the fuel (sometimes developing leaks within a few hours of being

Donor number (523 words) [view diff] exact match in snippet view article find links to article

doi:10.1351/pac200375010071. S2CID 97549495. V. Gutmann (1976). "Solvent effects on the reactivities of organometallic compounds". Coord. Chem. Rev

Kim K. Baldridge (718 words) [view diff] exact match in snippet view article find links to article

mechanical approaches to study reaction paths and rates, inclusion of solvent effects, and evaluation of DFT functionals with dispersion correction for studying

Phase (matter) (1,796 words) [view diff] case mismatch in snippet view article

phosphorus are in the molten state. From Reichardt, C. (2006). Solvents and Solvent Effects in Organic Chemistry. Wiley-VCH. pp. 9–10. ISBN 978-3-527-60567-5.

Organic solar cell (13,808 words) [view diff] no match in snippet view article find links to article

An organic solar cell (OSC) or plastic solar cell is a type of photovoltaic that uses organic electronics, a branch of electronics that deals with conductive

Gutmann–Beckett method (972 words) [view diff] exact match in snippet view article find links to article

Dalton Trans., 2007, 3407–3414. doi: 10.1039/b704417h V. Gutmann, "Solvent effects on reactivities of organometallic compounds", Coord. Chem. Rev., 1976

Hexahydro-1,3,5-triazine (572 words) [view diff] case mismatch in snippet view article find links to article

5-Trialkyl-1,3,5-triazacyclohexanes: 1H and 13C Dynamic NMR Studies. Solvent Effects. Ab Initio and Molecular Mechanics Calculations". J. Am. Chem. Soc

12-Crown-4 (311 words) [view diff] exact match in snippet view article find links to article

Caswell, Lyman R.; Savannunt, Diana S. (January 1988). "Temperature and solvent effects on the experimental dipole moments of three crown ethers". Journal

Dudley Williams (biochemist) (919 words) [view diff] exact match in snippet view article

cycles of natural selection. Williams, D.H.; Bhacca, N.S. (1965). "Solvent effects in NMR spectroscopy—III". Tetrahedron. 21 (8): 2021–2028. doi:10

Molecular mechanics (2,335 words) [view diff] exact match in snippet view article find links to article

PB (March 2007). "Accurate, conformation-dependent predictions of solvent effects on protein ionization constants". Proc Natl Acad Sci USA. 104 (12):

N-Chlorosuccinimide (389 words) [view diff] exact match in snippet view article find links to article

3-dichloro-5,5-dimethylhydantoin. Delaney, Paul A.; R. Johnstone (1985). "Solvent effects in the chlorination of tetrahydrothiophens with N-chlorosuccinimide"

Acetylacetone (1,049 words) [view diff] case mismatch in snippet view article find links to article

1016/0040-4020(70)80005-9. Reichardt, Christian (2003). Solvents and Solvent Effects in Organic Chemistry (3rd ed.). Wiley-VCH. ISBN 3-527-30618-8. IUPAC

Thiophenol (977 words) [view diff] case mismatch in snippet view article find links to article

Occupational Safety and Health (NIOSH). Cox, Brian G. Acids and Bases: Solvent Effects on Acid-base Strength. 1st ed. Oxford, UK: Oxford UP, 2013. Bordwell

18-Crown-6 (990 words) [view diff] exact match in snippet view article find links to article

Caswell, Lyman R.; Savannunt, Diana S. (January 1988). "Temperature and solvent effects on the experimental dipole moments of three crown ethers". J. Heterocyclic

Methyldioxirane (150 words) [view diff] exact match in snippet view article find links to article

1016/S0009-2614(98)00678-2. Selçuki, Cenk; Aviyente, Viktorya (2001). "Electrostatic solvent effects on the conversion of substituted carbonyl oxides to dioxiranes". Molecular

Chronic solvent-induced encephalopathy (2,004 words) [view diff] exact match in snippet view article find links to article

coined the term "psycho-organic syndrome".[citation needed] Studies of solvent effects on intellectual functioning, memory, and concentration were carried

Limoniastrum monopetalum (2,240 words) [view diff] exact match in snippet view article find links to article

plants phenolic contents and biological activities coped with various solvent effects. In 2014, the salt excretion crystals on the leaf surface of the plant

Metal halides (1,440 words) [view diff] exact match in snippet view article find links to article

(6): 1064–1070. doi:10.1107/S0365110X67004268. V. Gutmann (1976). "Solvent effects on the reactivities of organometallic compounds". Coord. Chem. Rev

Triiodide (1,587 words) [view diff] case mismatch in snippet view article find links to article

ISBN 978-0-19-923617-6. Johnson, Alan E.; Myers, Anne B. (1 January 1996). "Solvent Effects in the Raman Spectra of the Triiodide Ion: Observation of Dynamic Symmetry

Hildebrand solubility parameter (770 words) [view diff] exact match in snippet view article find links to article

Kwok A. Y.; Qiao G. G.; Solomon D. H. (2004). "Synthetic hydrogels 3. Solvent effects on poly(2-hydroxyethyl methacrylate) networks". Polymer. 45 (12): 4017–4027

Decamethylferrocene (603 words) [view diff] case mismatch in snippet view article find links to article

Redox Standard to the Ferrocenium/Ferrocene Redox Couple for Studying Solvent Effects on the Thermodynamics of Electron Transfer". The Journal of Physical

Mark Maroncelli (462 words) [view diff] exact match in snippet view article find links to article

professor. Prof. Maroncelli's research interests include solvation and solvent effects on chemical reaction, liquid-phase dynamics, electron and proton transfer

Solvatochromism (729 words) [view diff] exact match in snippet view article find links to article

PMID 21128657. Reichardt, Christian; Welton, Thomas (2010). Solvents and solvent effects in organic chemistry (4th, updated and enl. ed.). Weinheim, Germany:

1,3-Dimethyl-2-imidazolidinone (494 words) [view diff] case mismatch in snippet view article find links to article

1039/JR9470000307. ISSN 0368-1769. Zaugg, Harold E. (1960). "Specific Solvent Effects in the Alkylation of Enolate Anions. IV. Kinetic Order of Solvent Participation"

Machine learning (15,540 words) [view diff] exact match in snippet view article find links to article

quantum chemistry, where novel algorithms now enable the prediction of solvent effects on chemical reactions, thereby offering new tools for chemists to tailor

Benedetta Mennucci (509 words) [view diff] exact match in snippet view article find links to article

is a main developer of the polarizable continuum model to predict solvent effects in computational chemistry. In the last years, her main research activity

Accessible surface area (1,426 words) [view diff] exact match in snippet view article find links to article

environment. The LCPO method is also used when calculating implicit solvent effects in the molecular dynamics software package AMBER. It is recently[when

Nikolai Menshutkin (1,463 words) [view diff] exact match in snippet view article find links to article

S2CID 202553231. Auriel, M.; De Hoffmann, E. (1975). "Quantitative study of solvent effects on Menshutkin reaction between 1,4-diazabicyclo[2.2.2]octane and

Neodymium(III) chloride (2,487 words) [view diff] exact match in snippet view article

Stuttgart: Georg Thieme Verlag. Steele, Marcus L.; Wertz, David L. (1977). "Solvent effects on the coordination of neodymium(3+) ions in concentrated neodymium

Simmons–Smith reaction (2,981 words) [view diff] case mismatch in snippet view article find links to article

Friedrich, E. C.; Niyati-Shirkhodaee, F. (1991). "Regioselectivity and Solvent Effects in Cyclopropanation of Alkadienes". J. Org. Chem. 56 (6): 2202–2205

PEPPSI (1,345 words) [view diff] case mismatch in snippet view article find links to article

Pd-PEPPSI Complexes: Studies into Precatalyst Activation, Cationic and Solvent Effects and the Role of Butoxide Base". Chem. Eur. J. 19: 2749–2756. doi:10

Biphenylene (1,349 words) [view diff] exact match in snippet view article find links to article

1021/ja01036a022. Anet, F. A. L.; Schenck, G. (1971). "Application of solvent effects to the study of diamagnetic and paramagnetic ring currents". J. Am

Brooker's merocyanine (762 words) [view diff] case mismatch in snippet view article find links to article

– via ACS Publications. Reichardt, Christian (2003). Solvents and Solvent Effects in Organic Chemistry. Wiley-VCH Publishers. Wang, Yuheng (2018). "A

Acid dissociation constant (11,529 words) [view diff] case mismatch in snippet view article find links to article

(2003). Solvents and Solvent Effects in Organic Chemistry (3rd ed.). Wiley-VCH. ISBN 3-527-30618-8. Chapter 4: Solvent Effects on the Position of Homogeneous

Dimethyl sulfoxide (4,307 words) [view diff] exact match in snippet view article find links to article

occur and, if DMSO control groups are not carefully planned, then solvent effects can falsely be attributed to the prospective drug. For example, even

Carbanion (3,479 words) [view diff] exact match in snippet view article find links to article

curriculum: introducing pKa values measured in DMSO to illustrate solvent effects". ChemTexts. 6 (2): 15. doi:10.1007/s40828-020-00112-z. ISSN 2199-3793

Exxon donor solvent process (653 words) [view diff] case mismatch in snippet view article find links to article

ISBN 9780486319339. Maa, Peter S.; Trachte, Ken L.; Williams, Richard D. (2013). "Solvent Effects in Exxon Donor-Solvent Coal Liquefaction". In Schlosberg, Richard H

Captodative effect (1,312 words) [view diff] exact match in snippet view article find links to article

Captodative olefins have a specific advantage of being responsive to solvent effects without the effect of destabilizing the radical. They have also shown

BQ-123 (867 words) [view diff] exact match in snippet view article find links to article

Zhang X, Jin Y, Prakash O, Paris CG, Kolossváry I, et al. (May 1994). "Solvent effects on the conformation of cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu-). An NMR spectroscopy

Docking (molecular) (4,011 words) [view diff] exact match in snippet view article

G_{rot}+\bigtriangleup G_{t/t}+\bigtriangleup G_{vib}} The components consist of solvent effects, conformational changes in the protein and ligand, free energy due

Anethole (3,391 words) [view diff] exact match in snippet view article find links to article

Jaenicke, Stephan; Chuah, Gaik-Khuan (2021-08-01). "Hydrophobicity and co-solvent effects on Meerwein-Ponndorf-Verley reduction/dehydration cascade reactions

Carbohydrate conformation (1,156 words) [view diff] exact match in snippet view article find links to article

lowering of energy hence a stabilizing effect, this can be complicated by solvent effects. Polar solvents tend to stabilize aligned dipoles. All interaction

Solubility (6,544 words) [view diff] exact match in snippet view article find links to article

addition, to this clear scientific interest in water solubility and solvent effects; accurate predictions of solubility are important industrially. The

Rhodococcus erythropolis (1,371 words) [view diff] exact match in snippet view article find links to article

to solvents under stress conditions to protect cell population from solvent effects, since solvent toxicity is a major factor influencing cell behavior

José Elguero Bertolini (830 words) [view diff] case mismatch in snippet view article find links to article

Magnetic Resonance Studies of Azoles. Tautomerism, Shift Reagents, and Solvent Effects. J. Org. Chem. 39, 357–363. doi:10.1021/jo00917a017(http://pubs.acs

Bioprospecting (6,435 words) [view diff] exact match in snippet view article find links to article

pipeline as early as possible. In addition, it is important to consider solvent effects on the cells or cell lines being tested, to include reference compounds

Cyclohexane conformation (4,193 words) [view diff] case mismatch in snippet view article find links to article

Haydar Taylan; Brickel, Sebastian; Meuwly, Markus (2022-03-10). "Solvent Effects on the Menshutkin Reaction". The Journal of Physical Chemistry B. 126

Vibrational spectroscopic map (3,065 words) [view diff] exact match in snippet view article find links to article

\omega _{j}-\omega _{j,0}} ref name=":2">Buckingham, A. D. (1960). "Solvent effects in vibrational spectroscopy". Transactions of the Faraday Society.

Vibrational solvatochromism (2,089 words) [view diff] exact match in snippet view article find links to article

1791632. ISSN 0021-9606. PMID 15527353. Buckingham, A. D. (1960). "Solvent effects in vibrational spectroscopy". Transactions of the Faraday Society.

Hydrophobicity scales (3,414 words) [view diff] exact match in snippet view article find links to article

Song, J. Biol. Chem. 261 (1986) 7220. Ben-Naim, A. (1990-02-15). "Solvent effects on protein association and protein folding". Biopolymers. 29 (3). Wiley:

Fragment molecular orbital (1,789 words) [view diff] exact match in snippet view article find links to article

equation-of-motion coupled-cluster (EOM-CC), and GW approximation. The solvent effects can be treated with the Polarizable continuum model (PCM). The FMO

Austen Angell (1,260 words) [view diff] exact match in snippet view article find links to article

worked with Dieter Gruen on transition metal spectroscopy and ionic solvent effects on cation coordination. Two years later, he was appointed as a faculty

Alcian blue stain (3,818 words) [view diff] exact match in snippet view article find links to article

Rauf, M. A.; Hisaindee, S.; Graham, J. P.; Nawaz, M. (2012-04-01). "Solvent effects on the absorption and fluorescence spectra of Cu(II)-phthalocyanine

Isodiazene (469 words) [view diff] case mismatch in snippet view article find links to article

Isolation of 1,1-Diazenes. II. Distance, Temperature, and Dynamic Solvent Effects on Electron Transfer Reactions (Thesis). California Institute of Technology

Organic azide (2,857 words) [view diff] exact match in snippet view article find links to article

the reaction rate. The reaction is generally free from significant solvent effects because both the reactants and the transition state (TS) are non-polar

Rhodocene (7,140 words) [view diff] case mismatch in snippet view article find links to article

Redox Standard to the Ferrocenium/Ferrocene Redox Couple for Studying Solvent Effects on the Thermodynamics of Electron Transfer". Journal of Physical Chemistry

Susan M. Kauzlarich (2,610 words) [view diff] case mismatch in snippet view article find links to article

Daniel; Tabatabaei, Katayoon; Kauzlarich, Susan M. (May 7, 2018). "Solvent Effects on Growth, Crystallinity, and Surface Bonding of Ge Nanoparticles"

Atom transfer radical polymerization (4,326 words) [view diff] case mismatch in snippet view article find links to article

the Atom Transfer Radical Polymerization Equilibrium: Quantifying Solvent Effects". Macromolecules. 42 (17): 6348–6360. Bibcode:2009MaMol..42.6348B.

Platinum nanoparticle (5,347 words) [view diff] exact match in snippet view article find links to article

reaction time. Ramirez et al. reported the influence of ligand and solvent effects on the size and shape of platinum nanoparticles. Platinum nanoparticle

William H. Green (2,046 words) [view diff] case mismatch in snippet view article find links to article

U.; Lusztyk, J.; Green, W. H.; Procopio, D. R. (1995). "Dramatic Solvent Effects on the Absolute Rate Constants for Abstraction of the Hydroxylic Hydrogen

Tetrachloro-1,2-difluoroethane (548 words) [view diff] case mismatch in snippet view article find links to article

Poly-(dimethylsiloxane) Chain. II. Unperturbed Dimensions and Specific Solvent Effects". Journal of the American Chemical Society. 86 (2): 141–146. doi:10

Photochlorination (2,997 words) [view diff] case mismatch in snippet view article find links to article

Gesellschaft (A and B Series) 64.1 (1931): A1–A4. Glen A. Russell: Solvent Effects in the Reactions of Free Radicals and Atoms. III. Effects of Solvents

1,3-Diphenylisobenzofuran (1,977 words) [view diff] exact match in snippet view article find links to article

rd420, ISBN 0471936235 R.H. Young; K. Wehrly; R.L. Martin (1971), "Solvent effects in dye-sensitized photooxidation reactions", Journal of the American

Surface properties of transition metal oxides (4,112 words) [view diff] exact match in snippet view article find links to article

liquid solid interface (i.e. solution pH, photocatalyst concentration, solvent effects, diffusion rate, etc.) calls for greater care to be taken to control

Oil shale in Estonia (11,819 words) [view diff] case mismatch in snippet view article find links to article

University Press. p. 134. ISBN 9789985566060. Herodes, Koit (2002). Solvent Effects on UV-vis Absorption Spectra of Some Solvatochromic Substances in Binary

Solvent model (4,370 words) [view diff] exact match in snippet view article find links to article

from the bulk. They can also be a useful way to include approximate solvent effects where the solvent is not an active constituent in the reaction or process

Steven Suib (2,065 words) [view diff] exact match in snippet view article find links to article

of mesoporous materials, such as inverse milcelles, elimination of solvent effects and the controlled condensation of inorganic frameworks. According