Chemistry
Listando 17 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition
Bermejo, Iris A.; Usabiaga, Imanol; Companon, Ismael; Castro-Lopez, Jorge; Insausti, Aran; Fernandez, Jose A.; Avenoza, Alberto; Busto, Jesus H.; Jimenez-Barbero, Jesus; Asensio, Juan L.; Peregrina, Jesus M.; Jimenez-Oses, Gonzalo; Hurtado-Guerrero, Ramon;
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2018)
DOI /
10.1021/jacs.8b04801
Green submitted, Hybrid
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9
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8
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High conductance values in pi-folded molecular junctions
Carini, Marco; Ruiz, Marta P.; Usabiaga, Imanol; Fernandez, Jose A.; Cocinero, Emilio J.; Melle-Franco, Manuel; Diez-Perez, Ismael; Mateo-Alonso, Aurelio
NATURE COMMUNICATIONS
(2017)
DOI /
10.1038/ncomms15195
Gold DOAJ, Green published
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1
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7
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Effects of Chlorination on the Tautomeric Equilibrium of 2-Hydroxypyridine: Experiment and Theory
Calabrese, Camilla; Maris, Assimo; Uriarte, Iciar; Cocinero, Emilio J.; Melandri, Sonia
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2017)
DOI /
10.1002/chem.201604891
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25
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Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars
Calabrese, Camilla; Uriarte, Iciar; Insausti, Aran; Vallejo-Lopez, Montserrat; Basterretxea, Francisco J.; Cochrane, Stephen A.; Davis, Benjamin G.; Corzana, Francisco; Cocinero, Emilio J.
ACS CENTRAL SCIENCE
2374-7943 (2020)
DOI /
10.1021/acscentsci.9b01277
Green published, Gold
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13
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Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium
Insausti, Aran; Alonso, Elena R.; Tercero, Belen; Santos, Jose, I; Calabrese, Camilla; Vogt, Natalja; Corzana, Francisco; Demaison, Jean; Cernicharo, Jose; Cocinero, Emilio J.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2021)
DOI /
10.1021/acs.jpclett.0c03050
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2
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1
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Structural Studies of Nicotinoids: Cotinine versus Nicotine
Uriarte, Iciar; Perez, Cristobal; Caballero-Mancebo, Elena; Basterretxea, Francisco J.; Lesarri, Alberto; Fernandez, Jose A.; Cocinero, Emilio J.
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2017)
DOI /
10.1002/chem.201700023
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17
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The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
Calabrese, Camilla; Temelso, Berhane; Usabiaga, Imanol; Seifert, Nathan A.; Basterretxea, Francisco J.; Prampolini, Giacomo; Shields, George C.; Pate, Brooks H.; Evangelisti, Luca; Cocinero, Emilio J.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2021)
DOI /
10.1002/anie.202103900
Hybrid, Green published
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22
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A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2F2)(n)center dot center dot center dot(H2O)(m)
Calabrese, Camilla; Li, Weixing; Prampolini, Giacomo; Evangelisti, Luca; Uriarte, Iciar; Cacelli, Ivo; Melandri, Sonia; Cocinero, Emilio J.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2019)
DOI /
10.1002/anie.201902753
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14
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Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies
Calabrese, Camilla; Ecija, Patricia; Companon, Ismael; Vallejo-Lopez, Montserrat; Cimas, Alvaro; Parra, Maider; Basterretxea, Francisco J.; Santos, Jose I.; Jimenez-Barbero, Jesus; Lesarri, Alberto; Corzana, Francisco; Cocinero, Emilio J.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2019)
DOI /
10.1021/acs.jpclett.9b00978
Green submitted
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14
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Bond Length Alternation Observed Experimentally: The Case of 1H-Indazole
Uriarte, Iciar; Reviriego, Felipe; Calabrese, Camilla; Elguero, Jose; Kisiel, Zbigniew; Alkorta, Ibon; Cocinero, Emilio J.
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2019)
DOI /
10.1002/chem.201901666
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5
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Interactions between azines and alcohols: a rotational study of pyridine-tert-butyl alcohol
Spada, Lorenzo; Uriarte, Iciar; Li, Weixing; Evangelisti, Luca; Cocinero, Emilio J.; Caminati, Walther
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2019)
DOI /
10.1039/c8cp04462g
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4
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Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone
Uriarte, Iciar; Insausti, Aran; Cocinero, Emilio J.; Jabri, Atef; Kleiner, Isabelle; Mouhib, Halima; Alkorta, Ibon
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2018)
DOI /
10.1021/acs.jpclett.8b02339
Green submitted
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2
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Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose
Usabiaga, Imanol; Gonzalez, Jorge; Leon, Iker; Arnaiz, Pedro F.; Cocinero, Emilio J.; Fernandez, Jose A.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2017)
DOI /
10.1021/acs.jpclett.7b00151
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1
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Investigating the Conformation of the Bridged Monosaccharide Levoglucosan
Uriarte, Iciar; Ecija, Patricia; Lozada-Garcia, Rolando; Carcabal, Pierre; Cocinero, Emilio J.
CHEMPHYSCHEM
1439-4235 (2018)
DOI /
10.1002/cphc.201701242
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2
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N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine
Vallejo-Lopez, Montserrat; Ecija, Patricia; Vogt, Natalja; Demaison, Jean; Lesarri, Alberto; Basterretxea, Francisco J.; Cocinero, Emilio J.
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2017)
DOI /
10.1002/chem.201702232
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1
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Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben
Insausti, A.; Calabrese, C.; Parra, M.; Vallejo-Lopez, M.; Ecija, P.; Basterretxea, F. J.; Grabow, J-U; Caminati, W.; Lesarri, A.; Cocinero, E. J.
CHEMICAL COMMUNICATIONS
1359-7345 (2020)
DOI /
10.1039/d0cc00760a
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1
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Shapes, Dynamics, and Stability of beta-lonone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase
Uriarte, Iciar; Melandri, Sonia; Maris, Assimo; Calabrese, Camilla; Cocinero, Emilio J.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2018)
DOI /
10.1021/acs.jpclett.8b00256
