Showing results (1-10 of 520) with videos related to
Sort By:
Pageof 52
Carbohydrate Research|November 9, 2011
Computational study of mutarotation in erythrose and threoseIbon Alkorta, Paul L A PopelierThe Journal of Physical Chemistry. A|January 6, 2023
Linking the Interatomic Exchange-Correlation Energy to Experimental <i>J</i>-Coupling ConstantsIbon Alkorta, Paul L A PopelierChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 11, 2014
Linear free-energy relationships between a single gas-phase ab initio equilibrium bond length and experimental pKa values in aqueous solutionIbon Alkorta, Paul L A PopelierJournal of Chemical Information and Modeling|January 7, 2010
Prediction of the basicities of pyridines in the gas phase and in aqueous solutionGlenn I Hawe, Ibon Alkorta, Paul L A PopelierMolecular Informatics|August 3, 2016
Predicting pKa Values in Aqueous Solution for the Guanidine Functional Group from Gas Phase Ab Initio Bond LengthsMark Z Griffiths, Ibon Alkorta, Paul L A PopelierMolecules (Basel, Switzerland)|June 13, 2020
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron CorrelationIbon Alkorta, Arnaldo F Silva, Paul L A PopelierJournal of Computational Chemistry|November 11, 2017
An interacting quantum atom study of model S<sub>N</sub> 2 reactions (X<sup>-</sup> ···CH<sub>3</sub> X, X = F, Cl, Br, and I)Ibon Alkorta, Joseph C R Thacker, Paul L A PopelierCarbohydrate Research|July 31, 2012
Conformational study of the open-chain and furanose structures of D-erythrose and D-threoseLuis Miguel Azofra, Ibon Alkorta, José Elguero, et al.Theoretical Chemistry Accounts|March 16, 2019
A relative energy gradient (REG) study of the planar and perpendicular torsional energy barriers in biphenylPaul L A Popelier, Peter I Maxwell, Joseph C R Thacker, et al.Magnetic Resonance in Chemistry : MRC|March 23, 2010
A theoretical NMR study of ortho and para-substituted benzenes compared with silabenzenes, pyridines and phosphabenzenesIbon Alkorta, José ElgueroPageof 52