Lucas C. Ducati

beskæftigelse: forsker

Serier

There is nothing here

Create a new serie

Artikler

There is nothing here

Create a new work

Artikler 26

Date

Titel

Forfattere

2019-09-26

Dealing with Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches

Patrick R Batista, Lucas J Karas, Renan V. Viesser, Claudio F Tormena, Lucas C. Ducati
2018-02-13

Thermochromic Uranyl Isothiocyanates: Influencing Charge Transfer Bands with Supramolecular Structure.

Lucas C. Ducati, Jochen Autschbach, Christopher L Cahill
2018-10-01

Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding

Robert G Surbella, Lucas C. Ducati, Jochen Autschbach
2018-04-01

The halogen effect on the 13C NMR chemical shift in substituted benzenes

Lucas C. Ducati, Claudio F Tormena, Jochen Autschbach
2018-12-06

Quadrupolar 14N NMR Relaxation from Force-Field and Ab Initio Molecular Dynamics in Different Solvents

Adam Philips, Alex Marchenko, Lucas C. Ducati, Jochen Autschbach
2017-07-21

The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes

Jochen Autschbach, Renan V. Viesser, Lucas C. Ducati, Claudio F Tormena
2017-09-01

A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media

Robert G Surbella, Lucas C. Ducati, Jochen Autschbach
2017-07-26

Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly

Lucas C. Ducati, Jochen Autschbach, Christopher L Cahill
2016-04-12

Formation of isomers of anionic hemiesters of sugars and carbonic acid in aqueous medium

Lucas C. Ducati, Claudimir Lucio do Lago
2015-07-01

Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the (13)C NMR shielding tensors of dihaloethenes

Lucas C. Ducati, Jochen Autschbach, Claudio F Tormena
2015-04-13

Conformational Analysis and Electronic Interactions of Some 4'-Substituted-2-ethylthio-phenylacetates

Lucas C. Ducati, Paulo R. Olivato, Maurizio Dal Colle
2014-02-21

Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies

Claudio F Tormena, Roberto Rittner, Lucas C. Ducati
2014-03-30

A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories

Lucas C. Ducati, Roberto Rittner, Douglas Henrique Pereira, Rogério Custodio
2014-01-03

Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by (1)H NMR and infrared spectroscopies and theoretical calculations

Rodrigo A. Cormanich, Lucas C. Ducati, Claudio F Tormena, Roberto Rittner
2014-07-18

Synthesis and Diels-Alder reactions of a benzo[5]radialene derivative

Liliana Marzorati, Lucas C. Ducati
2014-06-30

Revisiting NMR through-space J(FF) spin-spin coupling constants for getting insight into proximate F---F interactions

Lucas C. Ducati, Claudio F Tormena
2013-07-25

A critical evaluation of the s-cis-trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations

Lucas C. Ducati, Roberto Rittner, Claudio F Tormena
2012-05-10

Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2J(FF) couplings

Lucas C. Ducati, Claudio F Tormena
2012-11-17

Studies on the s-cis-trans isomerism for some furan derivatives through IR and NMR spectroscopies and theoretical calculations.

Roberto Rittner, Lucas C. Ducati, Claudio F Tormena, Rodrigo A. Cormanich
2011-05-26

Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations.

Roberto Rittner, Lucas C. Ducati, Claudio F Tormena
2011-01-31

Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1JCF coupling constants in fluorobenzene derivatives

Lucas C. Ducati, Roberto Rittner, Claudio F Tormena
2011-11-23

Stereochemical dependence of 3JCH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives

Lucas C. Ducati, Francisco P. dos Santos, Claudio F Tormena
2010-09-05

Difference between ²JC2H3 and ²JC3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: a quantum chemical analysis

Francisco P. dos Santos, Lucas C. Ducati, Claudio F Tormena
2010-01-01

Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of (31)P lone pairs.

Lucas C. Ducati, Thaís M Barbosa, Claudio F Tormena
2009-09-01

Heavy Halogen Atom Effect on (13)C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

Lucas C. Ducati, Roberto Rittner, Claudio F Tormena, Gernot Frenking
2009-10-01

Molecules with all triple bonds: OCBBCO, N2BBN2, and [OBBBBO](2-)

Lucas C. Ducati, Gernot Frenking

Human - wd:Q46090816

Welcome to Inventaire

dit venne- og fællesskabs bibliotek

vil du vide mere