| Carbon-13 NMR chemical shifts. A single rule to determine the conformation of calix [4] arenes C Jaime, J De Mendoza, P Prados, PM Nieto, C Sanchez The Journal of Organic Chemistry 56 (10), 3372-3376, 1991 | 703 | 1991 |
| Molecular dynamics simulation studies of liquid acetonitrile: New six‐site model X Grabuleda, C Jaime, PA Kollman Journal of Computational Chemistry 21 (10), 901-908, 2000 | 166 | 2000 |
| Determination of the inclusion geometry for the β-cyclodextrin/benzoic acid complex by NMR and molecular modeling D Salvatierra, C Jaime, A Virgili, F Sánchez-Ferrando The Journal of Organic Chemistry 61 (26), 9578-9581, 1996 | 135 | 1996 |
| A reparameterization of empirical hydrocarbon force field MM2 for improved performance in torsional energy surface calculations C Jaime, E Ōsawa Tetrahedron 39 (17), 2769-2778, 1983 | 109 | 1983 |
| α-, β-, and γ-cyclodextrin dimers. Molecular modeling studies by molecular mechanics and molecular dynamics simulations P Bonnet, C Jaime, L Morin-Allory The Journal of Organic Chemistry 66 (3), 689-692, 2001 | 94 | 2001 |
| Structure and thermodynamics of α-, β-, and γ-cyclodextrin dimers. Molecular dynamics studies of the solvent effect and free binding energies P Bonnet, C Jaime, L Morin-Allory The Journal of Organic Chemistry 67 (24), 8602-8609, 2002 | 82 | 2002 |
| Folding and self-assembling with β-oligomers based on (1R, 2S)-2-aminocyclobutane-1-carboxylic acid E Torres, E Gorrea, KK Burusco, E Da Silva, P Nolis, F Rúa, S Boussert, ... Organic & Biomolecular Chemistry 8 (3), 564-575, 2010 | 74 | 2010 |
| Solution geometry of. beta.-cyclodextrin-1-bromoadamantane host-guest complex as determined by 1H [1H] intermolecular NOE and MM2 calculations C Jaime, J Redondo, F Sanchez-Ferrando, A Virgili The Journal of Organic Chemistry 55 (15), 4772-4776, 1990 | 73 | 1990 |
| Experimental (NMR) and computational (MD) studies on the inclusion complexes of 1-bromoadamantane with α-, β-, and γ-cyclodextrin PM Ivanov, D Salvatierra, C Jaime The Journal of organic chemistry 61 (20), 7012-7017, 1996 | 72 | 1996 |
| Di-and trisubstituted. gamma.-lactones. Conformational study by molecular mechanics calculations and coupling constant analysis C Jaime, RM Ortuno, J Font The Journal of Organic Chemistry 51 (21), 3946-3951, 1986 | 66 | 1986 |
| Cyclodextrin inclusion complexes. MM2 calculations reproducing bimodal inclusions M Fathallah, F Fotiadu, C Jaime The Journal of Organic Chemistry 59 (6), 1288-1293, 1994 | 64 | 1994 |
| Diels–Alder reactions of methyl-N-acyl-α,β-dehydroalaninates with cyclopentadiene MP Bueno, C Cativiela, C Finol, JA Mayoral, C Jaime Canadian journal of chemistry 65 (9), 2182-2186, 1987 | 62 | 1987 |
| β-cyclodextrin inclusion complex with adamantane Intermolecular 1H {1H} NOE determinations and molecular mechanics calculations C Jaime, J Redondo, F Sánchez-Ferrando, A Virgili Journal of molecular structure 248 (3-4), 317-329, 1991 | 59 | 1991 |
| Application of empirical potential energy calculations to organic chemistry. Part 19. Conformational preference in 2, 4-dimethoxybicyclo [3.3. 1] nonan-9-one and related … C Jaime, E Osawa, Y Takeuchi, P Camps The Journal of Organic Chemistry 48 (24), 4514-4519, 1983 | 57 | 1983 |
| Theoretical and experimental study of a praziquantel and β-cyclodextrin inclusion complex using molecular mechanic calculations and H1-nuclear magnetic resonance MB de Jesus, LMA Pinto, LF Fraceto, Y Takahata, ACS Lino, C Jaime, ... Journal of Pharmaceutical and Biomedical Analysis 41 (4), 1428-1432, 2006 | 55 | 2006 |
| Chiral discrimination of ibuprofen isomers in β-cyclodextrin inclusion complexes: experimental (NMR) and theoretical (MD, MM/GBSA) studies CJ Núñez-Agüero, CM Escobar-Llanos, D Díaz, C Jaime, ... Tetrahedron 62 (17), 4162-4172, 2006 | 54 | 2006 |
| Chitosan as a capping agent: Insights on the stabilization of gold nanoparticles A Franconetti, JM Carnerero, R Prado-Gotor, F Cabrera-Escribano, ... Carbohydrate polymers 207, 806-814, 2019 | 48 | 2019 |
| Pyridine-based macrocycles containing N, O, and S and their use as ion-selective electrodes. Crystal structures of 15-aza-6-oxa-3, 9-dithiabicyclo [9.3. 1] pentadeca-1 (15), 11 … J Casabo, L Escriche, S Alegret, C Jaime, C Perez-Jimenez, J Rius, ... Inorganic chemistry 30 (8), 1893-1898, 1991 | 47 | 1991 |
| Enantioselective preparation and structural and conformational analysis of the chiral solvating agent α, α′-bis (trifluoromethyl)-1, 8-anthracenedimethanol M Pérez-Trujillo, I Maestre, C Jaime, A Alvarez-Larena, JF Piniella, ... Tetrahedron: Asymmetry 16 (18), 3084-3093, 2005 | 46 | 2005 |
| The CSIC reaction on substrates derived from aldehydes JL Marco, ST Ingate, C Jaime, I Beá Tetrahedron 56 (16), 2523-2531, 2000 | 45 | 2000 |
