How many conformers of the 1, 2, 3-propanetriol triacetate are present in gas phase and in aqueous solution?

No abstract is available for this paper.

• Publication year

  1996

• Venue

  Tetrahedron

• Publication date

  1996-01-08

• Fields of study

  Chemistry

• Identifiers
  DOI 10.1016/0040-4020(95)00918-3
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Practical Methods of Optimization: Fletcher/Practical Methods of Optimization

  2000cited by this paper
• An investigation into intramolecular hydrogen bonding: impact of basis set and electron correlation on the ab initio conformational analysis of 1,2-ethanediol and 1,2,3-propanetriol

  1994cited by this paper
• Simulations of the aqueous solvation of trilaurin

  1994cited by this paper
• How many conformers are there for small n-alkanes? Consequences of asymmetric deformation in GG′ segment

  1993cited by this paper
• Simulations of peptide conformational dynamics and thermodynamics

  1993cited by this paper
• Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity.

  1993cited by this paper
• Multiphoton ionization studies of clusters of immiscible liquids. I. C6H6–(H2O)n, n=1,2

  1992cited by this paper
• Ab initio vibrational analysis of hydrogen-bonded trans- and cis-N-methylacetamide

  1991cited by this paper
• A supermolecule study of the effect of hydration on the conformational behaviour of leucine-enkephalin

  1991cited by this paper
• Thermochemistry of solutions of esters in water and in water-dioxane mixtures at 298.15 K

  1991cited by this paper
• Conformations of cycloheptadecane. A comparison of methods for conformational searching

  1990cited by this paper
• Computer modeling of the interactions of complex molecules

  1990cited by this paper
• Simple models for solvation effects on electronic transition energies: Formaldehyde and water

  1989cited by this paper
• MCL — Optimization oriented programming language

  1989cited by this paper
• MERLIN-2.0 — Enhanced and programmable version

  1989cited by this paper
• Stochastic search for the conformations of bicyclic hydrocarbons

  1989cited by this paper
• The general atomic and molecular electronic structure system hondo: Version 7.0

  1989cited by this paper
• An analysis of current methodologies for conformational searching of complex molecules.

  1988cited by this paper
• Merlin - a portable system for multidimensional minimization

  1987cited by this paper
• Stochastic exploration of molecular mechanics energy surfaces. Hunting for the global minimum

  1987cited by this paper
• Numerical methods for unconstrained optimization and nonlinear equations

  1983cited by this paper
• CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

  1983cited by this paper
• Carbon‐13 T1 measurements on glyceryl trivalerate

  1981cited by this paper
• Conformational structure of glycerol trivalerate and its relation to phospholipids: Studies by NMR and potential energy calculations

  1978cited by this paper
• Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

  1977cited by this paper
• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

  1970cited by this paper
• Vapor Pressure of Tiracetin, Triethylene Glycol Dinitrate, and Metriol Trinitrate.

  1963cited by this paper

• DNL-17: A Small-Pore Aluminophosphate in ABC-6 Family with 24 Stacking Layers Unraveled by Three-Dimensional Electron Diffraction.

  2025cites this paper
• Hydrogen bonding in saturated acids triglyceride monohydrates: MD and DFT modeling

  2025cites this paper
• Studying the Chemistry of Cationized Triacylglycerols Using Electrospray Ionization Mass Spectrometry and Density Functional Theory Computations

  2014cites this paper
• A DFT investigation of methanolysis and hydrolysis of triacetin

  2010cites this paper
• Thermochemical and Ab Initio Studies of Biodiesel Fuel Surrogates: 1,2,3-Propanetriol Triacetate, 1,2-Ethanediol Diacetate, and 1,2-Ethanediol Monoacetate†

  2009cites this paper
• Produção de biodiesel por catálise heterogénea

  2008cites this paper
• Triglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis tools

  2007cites this paper
• Transesterification of poultry fat with methanol using Mg–Al hydrotalcite derived catalysts

  2007cites this paper
• Biodiesel forming reactions using heterogeneous catalysis

  2007cites this paper
• Transesterification of triacetin with methanol on solid acid and base catalysts

  2005cites this paper
• Merlin-3.0. A multidimensional optimization environment

  1998cites this paper