Ilmenauer Discovery Tool

1

Study of the interaction between aniline and CH 3 | CN, CH 3 | Cl and CH 3 | F

by Cabaleiro-Lago, M.
Published in Theoretical Chemistry Accounts : Theory, Computation, and Modeling

electronic Article

2

Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene

by Montero-Campillo, Merced
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

3

Effect of stepwise microhydration on the guanidinium···π interaction

by Rodríguez-Sanz, A.
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

4

A MP2 and DFT study of the influence of complexation on the aromatic character of phosphole

by Peña-Gallego, Angeles
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

5

Effects of microhydration on the characteristics of cation–phenol complexes

by Campo-Cacharrón, Alba
Published in Theoretical Chemistry Accounts : Theory, Computation, and Modeling

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

6

Ab Initio | and DFT Study of the Influence of the Allene Group on the Diels–Alder Reaction

by Ferreiro, Luisa
Published in Structural Chemistry : Computational and Experimental Studies of Chemical and Biological Systems

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

7

Size and shape effects on complexes of fullerenes with carbon nanorings: C 50 | and C 76 | as [10]CPP and [6]CPPA guests

by González-Veloso, Iván
Published in Structural Chemistry : Computational and Experimental Studies of Chemical and Biological Systems

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

8

DFT and MP2 study of the interaction between corannulene and alkali cations

by Rellán-Piñeiro, Marcos
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

9

Effect of stepwise microhydration on the methylammonium···phenol and ammonium···phenol interaction

by Rodríguez-Sanz, A.
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

10

Theoretical study of the decomposition of ethyl and ethyl 3-phenyl glycidate

by Josa, Daniela
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

11

A MP2 and DFT study of the aromatic character of polyphosphaphospholes. Is the pyramidality the only factor to take into consideration?

by Josa, Daniela
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

12

A computational study of the mechanism of the unimolecular elimination of α | , β | -unsaturated aldehydes in the gas phase

by Erastova, Valentina
Published in Journal of Molecular Modeling : Computational Chemistry - Life Science - Advanced Materials - New Methods

Other Involved Persons: “...Cabaleiro-Lago, M....”
electronic Article

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