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Conformational and Bonding Properties of 3,3-Dimethyl- and 6,6-Dimethyl-1,5-diazabicyclo[3.1.0]hexane: A Case Study Employing the Monte Carlo Method in Gas Electron Diffraction

artículo científico publicado en 2015

Equilibrium molecular structure and spectra of 6-methyl-1,5-diazabicyclo[3.1.0]hexane: joint analysis of gas phase electron diffraction, quantum chemistry, and spectroscopic data

artículo científico publicado en 2020

Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations

artículo científico publicado en 2018

From the determination of the accurate equilibrium structure of 1-methylthymine by gas electron diffraction and coupled cluster computations to the observation of methylation and flexibility effects in pyrimidine nucleobases

artículo científico publicado en 2014

Gas phase equilibrium structure of histamine.

artículo científico publicado en 2016

Interplay of experiment and theory: determination of an accurate equilibrium structure of 1-methyluracil by the gas electron diffraction method and coupled-cluster computations.

artículo científico publicado en 2013

Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of [...]

artículo científico publicado en 2007

Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies.

artículo científico publicado en 2009

Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies.

artículo científico publicado en 2017

Nitroxoline Molecule: Planar or Not? A Story of Battle between π-π Conjugation and Interatomic Repulsion

artículo científico publicado en 2018

Structure and bonding nature of the strained Lewis acid 3-methyl-1-boraadamantane: a case study employing a new data-analysis procedure in gas electron diffraction.

artículo científico publicado en 2012

Study of the thymine molecule: equilibrium structure from joint analysis of gas-phase electron diffraction and microwave data and assignment of vibrational spectra using results of ab initio calculations.

artículo científico publicado en 2008

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