Publications

A selection of publications is given below:

E. Vallejo-Lopez, P. Ecija, N. Vogt, J. Demaison, A. Lesarri, F. J. Basterretxea, E. J. Cocinero, N-Methyl inversion and accurate equilibrium structures in alkaloids: Pseudopelletierine,  Chem. Eur. J., 23, 16491-16496 (2017)

A. Lesarri, R. Pinacho, L. Enríquez, J. E. Rubio, M. Jaraiz, J. L. Abad, M. A. Gigosos, Rotational spectra of tetracyclic quinolizidine alkaloids: Does a water molecule flip sparteine? Phys. Chem. Chem. Phys., 19, 17553-17559 (2017)

I. Uriarte, C. Pérez, E. Caballero-Mancebo, F. J. Basterretxea, A. Lesarri, J. A. Fernandez, E. J. Cocinero, Structural studies of nicotinoids: Cotinine versus nicotine, Chem. Eur. J., 23, 7238-7244 (2017)

I. Ecija, I. Uriarte, L. Spada, B. G. Davis, W. Caminati, F. J. Basterretxea, A. Lesarri, E. J. Cocinero, Furanosic forms of sugars: conformational equilibrium of methyl beta-D-ribofuranoside, Chem. Comm., 52, 6241-6244 (2016)

C. Pérez, E. Caballero-Mancebo, A. Lesarri, E. J. Cocinero, I. Alkorta, R. D. Suenram, J.-U. Grabow, B. H. Pate, The conformational map of volatile anesthetics: Enflurane revisited,  Chem. Eur. J., 22, 9804-9811 (2016)

PCCP-cover-sevo2

Cover Phys. Chem. Chem. Phys. (July 2015)

N. A. Seifert, C. P√©rez, J. L. Neill,¬†B. H. Pate, M. Vallejo-L√≥pez, A. Lesarri, E. J. Cocinero, F. Casta√Īo,¬†Chiral recognition and atropisomerism in the sevoflurane dimer, Phys. Chem. Chem. Phys., 17, 18282-18287¬† (2015)

 

 

Q. Gou, G. Feng, L. Evangelisti, M. Vallejo-López, L. Spada, A. Lesarri, E. J. Cocinero, W. Caminati, Internal Dynamics in Halogen-Bonded Adducts: A Rotational Study of Chlorotrifluoromethane-Formaldehyde, Chem. Eur. J., 21, 4148-4152 (2015)

I. León, J. Millán, E. J. Cocinero, A. Lesarri, J. A. Fernández, Water Encapsulation by Nanomicelles, Angew. Chem. Int. Ed., 53, 12480-12483 (2014)

2014PCCP16_13041_PORTADA_Piridina-CH4

 

Cover Phys. Chem. Chem. Phys. (June 2014)

Q. Gou, L. Spada, M. Vallejo-López, A. Lesarri, E. J. Cocinero, W. Caminati, Interactions between alkanes and aromatic molecules: a rotational study of pyridine-methane, Phys. Chem. Chem. Phys., 16, 13041-13046 (2014)

 

N. A. Seifert, D. Zaleski, C. P√©rez, J. L. Neill,¬†B. H. Pate, M. Vallejo-L√≥pez, A. Lesarri, E. J. Cocinero, F. Casta√Īo, I. Kleiner,¬†Probing the C-H Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane-Benzene Cluster, Angew. Chem. Int. Ed., 53, 3210-3213 (2014)

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Cover Angew. Chem. Int. Ed. (July 2013)

I. León, J. Millan, E. J. Cocinero, A. Lesarri, J. A. Fernández, Shaping micelles: The interplay between hydrogen bonds and dispersive interactions, Angew. Chem. Int. Ed., 52, 7772-7775 (2013)

 

 

N. A. Seifert, A. L. Steber, J. L. Neill, C. Pérez, D. P. Zaleski, B. H. Pate, A. Lesarri, The interplay of hydrogen bonding and dispersion in phenol dimer and trimer: structures from broadband rotational spectroscopy, Phys. Chem. Chem. Phys., 15, 11468-11477 (2013)

P. Ecija, E. J. Cocinero, A. Lesarri, F. J. Basterretxea, J. A. Fern√°ndez, F. Casta√Īo, The distorted tropane of scopoline,¬†Chem. Phys. Chem., 14, 1830-1835 (2013)

E. J. Cocinero, A. Lesarri, P. √Čcija, A. Cimas, B. G. Davies, F. J. Basterretxea, J. A. Fern√°ndez, F. Casta√Īo, Free fructose is conformationally locked,¬†J. Am. Chem. Soc., 135, 2845-2852 (2013)

I. Le√≥n, J. Mill√°n, E. J. Cocinero, A. Lesarri, F. Casta√Īo,¬†J. A. Fern√°ndez,¬†Mimicking anesthetic-receptor interaction: A combined spectroscopic and computational study of propofol¬∑¬∑¬∑phenol,¬†Phys. Chem. Chem. Phys., 14, 8956-8963 (2012)

 

Cover РAngew. Chem. Int. Ed. (March 2012)

E. J. Cocinero, A. Lesarri, P. √Čcija, F. J. Basterretxea, J.-U. Grabow, J. A. Fern√°ndez, F. Casta√Īo,¬†Ribose found in the gas phase¬†,¬†Angew. Chem. Int. Ed., 51, 3119-3124 (2012)

 

 

A. L. Steber, J. L. Neill, D. P. Zaleski, B. H. Pate, A. Lesarri, R. G. Bird, V. Vaquero-Vara, M. K. Jahn, D. W. Pratt, Structural studies of biomolecules in the gas phase by chirp-pulse Fourier-Transform microwave spectroscopy, Farad. Discuss., 150, 227-242 (2011)

L. Evangelisti, A. Lesarri, M. K. Jahn, E. J. Cocinero, W. Caminati, J.-U. Grabow, N-methyl inversion and structure of six-membered heterocyclic rings: Rotational spectrum of 1-methyl-4-piperidone, J. Phys. Chem. A, 115, 9545-9551 (2011)

 

Cover – Phys. Chem. Chem. Phys. (July 2011)

Z. Kisiel, A. Lesarri, J. L. Neill, M. T. Muckle, B. H. Pate, Structure and properties of the (HCl)2···H2O cluster observed by chirped-pulse Fourier tansform microwave spectroscopy, Phys. Chem. Chem. Phys., 13, 13912-13919 (2011)

 

A. Lesarri, A. Vega-Toribio, R. D. Suenram, D. J. Bugh, D. Nori-Sharg, J. E. Boggs, Structural evidence of anomeric effects in the anesthetic isoflurane, Phys. Chem. Chem. Phys., 13, 6610-6618 (2011)

A. Lesarri, S. T. Shipman, J. L. Neill, G. G. Brown, R. D. Suenram, L. Kan, W. Caminati, B. H. Pate, The interplay of phenol and isopropyl isomerism in propofol from broadband chirped-pulse microwave spectroscopy, J. Am. Chem. Soc., 132, 13417-13424 (2010)

 

Cover – Phys. Chem. Chem. Phys. (September 2010)

A. Lesarri, A. Vega-Toribio, R. D. Suenram, D. J. Brugh, J.-U. Grabow, The conformational landscape of the volatile anaesthetic sevoflurane, Phys. Chem. Chem. Phys., 12, 9624-9631 (2010)

 

 

E. J. Cocinero, A. Lesarri, P. √Čcija, J.-U. Grabow, J. A. Fern√°ndez, F. Casta√Īo, N-methyl stereochemistry in tropinone: The conformational flexibility of the tropane motif, Phys. Chem. Chem. Phys., 12, 6076-6083 (2010)

N. Craig, R. D. Suenram, B. H. Pate, A. Lesarri, J. Neill, S. Shipman, R. Holmes, M. Leyden, A semi-experimental equilibrium structure for the C6 backbone of cis-1,3,5-hexatriene; Structural evidence for greater pi-electron delocalization with increasing chain length in polyenes, J. Phys. Chem. A, 113, 1864-1868 (2009)

I. Le√≥n, E. Aguado, A. Lesarri, J. A. Fern√°ndez, F. Casta√Īo, Molecular recognition in the gas-phase: Benzocaine-phenol as a model of anaesthetic-receptor interaction. Phys. Chem. Chem. Phys., 11, 11608-11616 (2009)

I. Le√≥n, E. Aguado, A. Lesarri, J. A. Fern√°ndez, F. Casta√Īo, Combined experimental and theoretical study of the Benzocaine-Ar van der Waals system in supersonic expansions, J. Phys. Chem. A, 113, 982-988 (2009)

E. J. Cocinero, A. Lesarri, J.-U. Grabow, J. C. López, J. L. Alonso, The shape of leucine in the gas-phase, ChemPhysChem, 8, 599-604 (2007)

E. J. Cocinero, A. Lesarri, M. E. Sanz, J. C. López, J. L. Alonso, Conformations of alpha-aminobutyric acid in gas-phase, ChemPhysChem, 7, 1481-1487 (2006)

 

Cover – Angewandte Chemie (June 2006)

J. L. Alonso, E. J. Cocinero, A. Lesarri, M. E. Sanz, J. C. López, The glycine-water complex, Angew. Chem. Int. Ed., 45, 3471-3474 (2006)