C. Jaime

发表

Stereospecific and practical syntheses of both meso-cyclopentane-1,2,3-tricarboxylic acids

P. Camps, C. Jaime, 1982 .

Platinum nanoparticles stabilized by N-heterocyclic thiones. Synthesis and catalytic activity in mono- and di-hydroboration of alkynes.

B. Lacroix, J. P. Espinós, P. Lara, 2020, Nanoscale.

Structural studies of di-Schiff bases with a middle flexible group, relationship between the structure and liquid crystal properties

J. Serrano, C. Jaime, M. Marcos, 1989 .

Dynamic nuclear magnetic resonance and empirical force field studies of cannabidiol

E. Ōsawa, C. Jaime, V. V. Kane, 1984 .

Di-2,2,2-trifluoro-1-(9-anthryl)ethyl fumarate, an easy starting point for the enantioselective preparation of trans-cyclohexene-4,5-dicarboxylate derivatives by Diels–Alder reaction

E. Molins, Martina Palomino-Schätzlein, C. Jaime, 2006 .

Modelling of the inclusion process of α-, β-, and γ-cyclodextrins with 1-bromoadamantane. A comparative molecular mechanics study accounting for the solvent

C. Jaime, P. Ivanov, 1996 .

Synthesis and In Vitro Studies of Photoactivatable Semisquaraine-type Pt(II) Complexes

J. Hernando, A. Rodríguez‐Diéguez, J. Lorenzo, 2022, Inorganic chemistry.

Synthesis, structure, and inclusion capabilities of trehalose-based cyclodextrin analogues (cyclotrehalans).

E. Álvarez, J. M. Benito, C. O. Mellet, 2008, The Journal of organic chemistry.

Host/Guest Interactions and NMR Spectroscopy. A Computer Program for Association Constant Determination

C. Jaime, D. Salvatierra, Carles Díez, 1997 .

Cyclo-bis-intercalands with acridine subunits linked by rigid spacers

J. Lehn, J. Vigneron, C. Jaime, 1995 .

Does the boat-like conformer exist for 1,8,8-trimethylbicyclo[3.2.1]Octan-3-one?

E. Ōsawa, A. Buda, C. Jaime, 1984 .

Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study

V. Puntes, N. Bastús, C. Jaime, 2022, Scientific reports.

Towards the design of host-guest complexes: biotin and urea derivatives versus artificial receptors.

J. Elguero, F. Herranz, R. M. Claramunt, 2004, Biosensors & bioelectronics.

Chelate effect in cyclodextrin dimers: a computational (MD, MM/PBSA, and MM/GBSA) study.

P. Kollman, C. Jaime, M. Gotsev, 2006, The Journal of organic chemistry.

Conformational analysis of 4-aryl-2,2,6,6-tetramethyl-heptane-3,5-diones. Dipole moment determinations and molecular mechanics calculations

M. Moreno-Mañas, C. Jaime, I. Hernández-Fuentes, 1994 .

Preparation and conformational analysis of severely hindered β-diketones. Dipole moment determinations and theoretical calculations.

A. Vallribera, C. Salom, C. Jaime, 1991 .

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),11,13-triene and (15-aza-6-oxa-3,9-dithiabicyclo[9.3.1]pentadeca-1(15),11,13-triene)dichlorocopper(II)

E. Molins, F. Teixidor, S. Alegret, 1991 .

Attempted Transformation of 2,3,5,6-Tetrachloro-4,4-dimethoxypentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione toward Pentaprismane Retaining Chloro Group

E. Ōsawa, Takeshi Matsumoto, A. Furusaki, 1992 .

NMR study of 9‐(1‐adamantylaminomethyl)‐9,10‐dihydroanthracene and its β‐cyclodextrin complexes

T. Parella, C. Jaime, A. Virgili, 2000 .

Heterocyclic agrochemical hosted by cyclodextrin and hybrid cyclodextrin-silica materials: characterization, release behavior, and mobility in soil

L. Fraceto, C. Jaime, L. M. Pinto, 2022, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

β-cyclodextrin bimodal complexes with n-alkylbenzenes and n-alkylcyclohexanes A molecular mechanics study

C. Jaime, E. Cervelló, 1998 .

2,5-Dioxybicyclo[2.2.2]octane-3,6-diones. A conformational study by ab initio molecular orbital methods and molecular mechanics calculations

V. Anisimov, A. Rauk, C. Jaime, 1995 .

Empirical force field (MM2 and MM3) calculations for peracetylated 1-deoxy-1-nitroheptitols and peracetylated 2-deoxyaldooctoses suggest that theoretical conformational analysis may be unreliable

D. Velasco, C. Jaime, X. Sánchez-Ruiz, 1995 .

Molecular mechanics calculations on the differentiation of diastereomeric complexes ofcis-decalin withβ-cyclodextrin

F. Fotiadu, C. Jaime, M. Fathallah, 1993 .

Synthesis and structural characterization of a new chiral macrocycle derived from α,α′-(bistrifluoromethyl)-9,10-anthracendimethanol and terephthalic acid

Martina Palomino-Schätzlein, Kepa K. Burusco, T. Parella, 2009 .

Preparation of enantiomers of 9-(1-amino-2,2-dimethylpropyl)-9,10-dihydroanthracene. Conformational study and their behaviour as chiral solvating agents

Adriana Port, C. Jaime, A. Virgili, 1996 .

Kinetically and thermodynamically controlled synthesis of 2,6-disubstituted cyclohexanone semicarbazones. A molecular mechanics study of a1,3-strai

M. Moreno-Mañas, C. Jaime, J. Marquet, 1985 .

Interpretation of conjugated oxiranes behavior toward nucleophiles

R. Ortuño, J. Font, C. Jaime, 1988 .

Fine-tuning ligand-receptor design for selective molecular recognition of dicarboxylic acids.

Antoni Llobet, A. Llobet, T. Parella, 2007, Inorganic chemistry.

Empirical force field calculations (MM2-V4) on biphenyl and 2,2′-bipyridine

J. Font, C. Jaime, J. Font, 1989 .

A reparameterization of empirical hydrocarbon force field MM2 for improved performance in torsional energy surface calculations

E. Ōsawa, C. Jaime, 1983 .

A conformational study of bis-, tris- and tetrakis-pyrazolylmethane. Crystallography, L.S.R., dipole moments and theoretical calculations

J. Elguero, C. Foces-Foces, F. H. Cano, 1989 .

Di- and trisubstituted .gamma.-lactones. Conformational study by molecular mechanics calculations and coupling constant analysis

R. Ortuño, J. Font, C. Jaime, 1986 .

Preparation of homochiral 9-anthryl-tert-butylcarbinol. The configurational and conformational NMR study of its carbamate derivatives

C. Roussel, M. Moragas, Adriana Port, 1995 .

RESTRICTED ROTATION AND NOE TRANSFER : A CONFORMATIONAL STUDY OF SOME SUBSTITUTED (9-ANTHRYL)CARBINOL DERIVATIVES

M. Moragas, C. Jaime, A. Virgili, 1995 .

Reduction of Aromatic Imino Derivatives: Chemical, Electrochemical, and Theoretical Studies

I. Gallardo, Adriana Port, C. Jaime, 2003 .

Conformational equilibria and cyclodextrin inclusion complexes. Computational study by force field calculations (MM3(92))

C. Jaime, M. Ramos, X. Sánchez-Ruiz, 1998 .

Studies on structurally simple butenolides. V: Reactions of protoanemonin with piperidine and C-nucleophiles. A general approach to its behaviour as electrophilic acceptor

R. Ortuño, J. Font, C. Jaime, 1985 .

Experimental (NMR) and Theoretical (MD Simulations) Studies on the Conformational Preference of Three Cycloalkanols when Included in β-Cyclodextrin

Kepa K. Burusco, C. Jaime, F. Sánchez-Ferrando, 2005 .

The first analysis of the steric control of the 6-exo free-radical cyclization of acyclic sugar derivatives—MM3 transition state modelling 1 In memory of Dr. Eldiberto Fernández Alvarez 1

J. Marco-Contelles, C. Jaime, X. Sánchez-Ruiz, 1998 .

Dipole moments can be used to determine the conformation of calix[4]arenes

P. Nieto, J. Elguero, N. Campillo, 1993 .

Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition

J. Elguero, R. Claramunt, C. Jaime, 2015, Molecules.

Chiral discrimination of ibuprofen isomers in β-cyclodextrin inclusion complexes: experimental (NMR) and theoretical (MD, MM/GBSA) studies

Ramón Garduño-Juárez, R. Garduño-Juárez, D. Díaz, 2006 .

Substituted .gamma.-lactones with vicinal hydrogen atoms. Conformational study by MM2 calculations and coupling constant analysis

J. Font, C. Jaime, I. Dinarés, 1993 .

Diels–Alder reactions of methyl-N-acyl-α,β-dehydroalaninates with cyclopentadiene

J. Mayoral, C. Finol, C. Cativiela, 1987 .

Heterocyclic betaines. Aza analogs of sesquifulvalene. 1. Structural studies of 1-alkyl-4-azolylidene-1,4-dihydropyridines and azolium azolate inner salts

J. Frigola, J. Rius, C. Jaime, 1991 .

Carbon-13 NMR chemical shifts. A single rule to determine the conformation of calix[4]arenes

P. Nieto, P. Prados, J. D. Mendoza, 1991 .

Conformation of tricyclo [4.3.1.12,5]undec‐3‐en‐10‐one

P. Camps, S. Vázquez, C. Jaime, 1994 .

Enantiodifferentiation by Complexation with β-Cyclodextrin: Experimental (NMR) and Theoretical (MD, FEP) Studies

C. Jaime, F. Sánchez-Ferrando, A. Virgili, 2000 .

Optimal configurations of "capped" beta-cyclodextrin dimers in water maximise hydrophobic association.

K. Naidoo, C. Jaime, M. R. Gamieldien, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Computational study on the conformations of CD38 and inclusion complexes of some lower-size large-ring cyclodextrins

C. Jaime, P. Ivanov, Emanouil J Atanassov, 2014 .

Structural Dynamics of Some Large-Ring Cyclodextrins. A Molecular Dynamics Study: An Analysis of Force Field Performance

C. Jaime, P. Ivanov, I. Beá, 2006 .

Insights into the Structure of Large-Ring Cyclodextrins through Molecular Dynamics Simulations in Solution.

Carlos Jaime, C. Jaime, Petko M Ivanov, 2004, The journal of physical chemistry. B.

Complexes between methyltestosterone and β-cyclodextrin for application in aquaculture production.

Kepa K. Burusco, C. Jaime, L. D. Murgas, 2018, Carbohydrate polymers.

Folding and self-assembling with beta-oligomers based on (1R,2S)-2-aminocyclobutane-1-carboxylic acid.

E. Giralt, V. Branchadell, R. Ortuño, 2010, Organic & biomolecular chemistry.

Removal of the synthetic hormone methyltestosterone from aqueous solution using a β-cyclodextrin/silica composite

A. Razafitianamaharavo, M. Pelletier, C. Jaime, 2019 .

Interaction with Modified Cyclodextrin as a Way to Increase the Antimalarial Activity of Primaquine.

C. Jaime, Adneia de Fátima Abreu Venceslau, Liliane Henrique Torres, 2019, Current drug discovery technologies.

Molecular dynamics study of the conformational dynamics and energetics of some large-ring cyclodextrins (CDn, n = 24, 25, 26, 27, 28, 29).

C. Jaime, M. Gotsev, P. Ivanov, 2007, Chirality.

Computational study on the intramolecular self-organization of the macrorings of some 'giant' cyclodextrins (CD(n), n = 40, 70, 85, 100).

C. Jaime, P. Ivanov, Emanouil J Atanassov, 2015, Organic & biomolecular chemistry.

Di-(R,R)-1-[10-(1-hydroxy-2,2,2-trifluoroethyl)-9-anthryl]-2,2,2-trifluoroethyl muconate: a highly chiral cavity for enantiodiscrimination by NMR.

Martina Palomino-Schätzlein, C. Jaime, A. Virgili, 2006, The Journal of organic chemistry.

Molecular dynamics simulations and MM–PBSA calculations of the cyclodextrin inclusion complexes with 1-alkanols, para-substituted phenols and substituted imidazoles

A. Badwan, M. Omari, A. Abdoh, 2008 .

Determination of the Inclusion Geometry for the β-Cyclodextrin/Benzoic Acid Complex by NMR and Molecular Modeling

C. Jaime, F. Sánchez-Ferrando, D. Salvatierra, 1996 .

Experimental (NMR) and Computational (MD) Studies on the Inclusion Complexes of 1-Bromoadamantane with alpha-, beta-, and gamma-Cyclodextrin.

C. Jaime, P. Ivanov, D. Salvatierra, 1996, The Journal of organic chemistry.

MM2 Calculations on Cyclodextrins: Multimodal Inclusion Complexes

Carlos Jaime, C. Jaime, F. Perez, 1995 .

Cyclodextrin inclusion complexes. MM2 calculations reproducing bimodal inclusions

F. Fotiadu, C. Jaime, M. Fathallah, 1994 .

β-Cyclodextrin inclusion complex with adamantane intermolecular 1H{1H} NOE determinations and molecular mechanics calculations

C. Jaime, F. Sánchez-Ferrando, A. Virgili, 1991 .

Solution geometry of .beta.-cyclodextrin-1-bromoadamantane host-guest complex as determined by 1H[1H] intermolecular NOE and MM2 calculations

C. Jaime, F. Sánchez-Ferrando, A. Virgili, 1990 .

α-, β-, and γ-Cyclodextrin Dimers. Molecular Modeling Studies by Molecular Mechanics and Molecular Dynamics Simulations

L. Morin-Allory, C. Jaime, P. Bonnet, 2001 .

Cyclodextrin Inclusion Complexes. Molecular Mechanics Calculations on the Modification of π-Face Selectivity†

A. Entrena, C. Jaime, 1997 .

Synthesis and Separation of Atropisomers of 9,10-Dipivaloylanthracene and 9,10-Bis(1-imino-2,2-dimethylpropyl)anthracene. Structural Study by NMR, Molecular Mechanics, and X-ray Diffraction

M. Moragas, Adriana Port, C. Jaime, 1997 .

Evidence of enantiomers of spiroglycol (SPG). Distinction by using α,α'-bis(trifluoromethyl)-9,10-anthracenedimethanol (ABTE) as Chiral Solvating Agent and by derivatization with chiral acids.

T. Parella, Albert Granados, C. Jaime, 2020, The Journal of organic chemistry.

A study on the molecular existing interactions in nanoherbicides: A chitooligosaccharide/tripolyphosphate loaded with paraquat case

L. Fraceto, R. Grillo, C. Jaime, 2019, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with β-cyclodextrin

A. Badwan, C. Jaime, N. A. Masoud, 2009 .

Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin

G. Germain, C. Jaime, F. Sánchez-Ferrando, 1999 .

Effect of β-Cyclodextrin on the Hydrolysis of Trifluoroacetate Esters

R. Rossi, C. Jaime, Mariana A. Fernandez and, 2001 .

Molecular mechanics and molecular dynamics calculations of the β-cyclodextrin inclusion complexes with m-, and p-nitrophenyl alkanoates

C. Jaime, E. Cervelló, F. Mazzucchi, 2000 .

Enantioselective preparation and structural and conformational analysis of the chiral solvating agent α,α′-bis(trifluoromethyl)-1,8-anthracenedimethanol

M. Pérez‐Trujillo, C. Jaime, A. Virgili, 2005 .

α- and β-cyclodextrin complexes with n-alkyl carboxylic acids and n-alkyl p-hydroxy benzoates. A molecular mechanics study of 1:1 and 1:2 associations

Y. Takahata, C. Jaime, A. C. Lino, 2002 .

Molecular Modelling Study of the 2:1 γ-Cyclodextrin:C60 Complex. Dummy Atoms Simulating Bond Electron Distribution

L. Morin-Allory, C. Jaime, P. Bonnet, 2003 .

13C NMR Chemical Shifts. A Single Rule to Determine the Conformation of Calix(4)arenes.

P. Nieto, P. Prados, J. D. Mendoza, 1991 .

Molecular recognition by β-cyclodextrin derivatives: molecular dynamics, free-energy perturbation and molecular mechanics/ Poisson–Boltzmann surface area goals and problems

Peter Kollman, P. Kollman, Ivan Beà, 2002 .

Theoretical and experimental study of a praziquantel and β-cyclodextrin inclusion complex using molecular mechanic calculations and H1-nuclear magnetic resonance

L. Fraceto, E. Paula, Y. Takahata, 2006 .

Molecular dynamics study on the conformational flexibility and energetics in aqueous solution of methylated beta-cyclodextrins.

C. Jaime, P. Ivanov, Javier Pérez-Mirón, 2008, Chirality.

Structure and Thermodynamics of α-, β-, and γ-Cyclodextrin Dimers. Molecular Dynamics Studies of the Solvent Effect and Free Binding Energies†

L. Morin-Allory, C. Jaime, P. Bonnet, 2002 .

Structure and thermodynamics of alpha-, beta-, and gamma-cyclodextrin dimers. Molecular dynamics studies of the solvent effect and free binding energies.

L. Morin-Allory, C. Jaime, P. Bonnet, 2002, The Journal of organic chemistry.

Inclusion complex of Callistemon viminalis essential oil prepared by kneading

C. Jaime, M. G. Cardoso, L. M. Pinto, 2020, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

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 molecules. Analysis of vicinal NMR coupling constants in multiple rotor system by combined molecular mechanics and generalized Karplus

P. Camps, E. Ōsawa, Y. Takeuchi, 1983 .

The conformation of (1R,2S,4R,5S)-2,4-dimethoxybicyclo[3.3.1]nonan-9-one and some related compounds

P. Camps, C. Jaime, 1980 .

Homo-Diels-Alder reaction of tricyclo[5.3.1.04,9]undeca-2,5-diene: a molecule with unusually strong through-space interaction in a 1,4-cyclooctadiene system

E. Ōsawa, A. Buda, C. Jaime, 1984 .

Conformational analysis of bicyclo[3.3.1]nonane‐exo‐2,exo‐4‐dicarboxylic acid derivatives and related compounds

P. Camps, M. Feliz, C. Jaime, 1989 .

Size-tunable trehalose-based nanocavities: synthesis, structure, and inclusion properties of large-ring cyclotrehalans.

J. M. Benito, C. Ortiz Mellet, J. G. García Fernández, 2009, The Journal of organic chemistry.

Molecular tweezers for enantiodiscrimination in NMR: Di-(R,R)-1-[10-(1-hydroxy-2,2,2-trifluoroethyl)-9-anthryl]-2,2,2-trifluoroethyl benzenedicarboxylates.

Martina Palomino-Schätzlein, Kepa K. Burusco, C. Jaime, 2009, Chirality.

Self-assembly of frame structures. 10. Stereochemistry of 2,5-dioxabicyclo [2.2.1]heptane-3,6-digne

A. Rauk, C. Jaime, R. G. Kostyanovsky, 1995 .

How Lipid Cores Affect Lipid Nanoparticles as Drug and Gene Delivery Systems

A. Radaic, F. Pessine, Y. Kapila, 2016 .

Structural studies of mesogen benzalazine derivatives. Part I. Semiempirical MO calculations (CNDO/2,MNDO) on intramolecular H-bond and vicinal interactions

J. Elguero, J. Serrano, C. Jaime, 1987 .

Estimation of the lipase PS (Pseudomonas cepacia) active site dimensions based on molecular mechanics calculations

Á. Guerrero, C. Jaime, X. Grabuleda, 1997 .

Preparation of (R)- and (S)-1-adamantyl-9-anthrylmethanol. Conformational study and their behaviour as chiral solvating agents

C. Jaime, A. Virgili, E. Cervelló, 1999 .

BEHAVIOR OF THE 9-ANTHRYL-TERT-BUTYLCARBINOL AS A CHIRAL SOLVATING AGENT. STUDY OF DIASTEREOCHEMICAL ASSOCIATION BY INTERMOLECULAR NOE AND MOLECULAR D YNAMICS CALCULATIONS

M. Moragas, Adriana Port, C. Jaime, 1998 .

Configurational and conformational NMR study of enantiopure 2,2‐dimethyl‐1‐(1‐naphthyl)propanol via its carbamate derivatives

C. Jaime, A. Virgili, A. Alvarez-Larena, 1999 .

Stereochemical study of a new heterocyclic system: Decahydro‐1H‐oxepino[3′,4′:4,5]isoxazolo [2,3‐a]pyridin‐1‐one

M. Figueredo, J. Font, C. Jaime, 1990 .

Preparation, structural and conformational study of cyclobis[(R,R)-α,α′-bis(trifluoromethyl)-9,10-anthracenedimethylsulphite]

T. Parella, C. Jaime, A. Virgili, 2002 .

MM2' calculations on methylenecyclohexane, methylenecyclopentane, and cyclopentane. Pitfalls in the two‐bond drive technique: How large should the ring be?

C. Jaime, 1990 .

The CSIC Reaction on Substrates Derived From Aldehydes

J. Marco, C. Jaime, S. Ingate, 2000 .

Half-Wave Potentials of 1-Aza- and 1,8-Diazaanthraquinones

C. Avendaño, J. Menéndez, J. Pingarrón, 1996 .

Stereochemical elucidation of aldoses from the proton NMR spectrum of its peracetylated aldononitrile derivatives with the aid of MM2/3JHH calculations

F. López-Calahorra, D. Velasco, C. Jaime, 1990 .

Determination of the conformation in solution of three 1,2‐3,4‐Di‐O‐methylenepyranoses: NMR and molecular mechanics studies

C. Jaime, A. Virgili, R. Nouguier, 1992 .

The Diels-Alder cycloaddition reaction of some substituted furans and E-1,2-bis(phenylsulfonyl)ethylene

C. Jaime, O. Arjona, F. Iradier, 1998 .

Cyclodextrins as effective tools to reduce the toxicity of atrazine

L. Andrade-Vieira, C. Jaime, D. A. Rocha, 2018 .

Cyclodextrins as effective tools to reduce the toxicity of atrazine

L. Andrade-Vieira, C. Jaime, D. A. Rocha, 2017, Energy, Ecology and Environment.

Chitosan as a capping agent: Insights on the stabilization of gold nanoparticles.

A. Franconetti, F. Cabrera-Escribano, C. Jaime, 2019, Carbohydrate polymers.

Antibody cooperative adsorption onto AuNPs and its exploitation to force natural killer cells to kill HIV-infected T cells.

J. Prado, V. Puntes, N. Bastús, 2021, Nano today.

Computational Study of Macroscopic Properties of Macromolecules with Industrial Interest

Kepa K. Burusco, L. Beltrán, C. Jaime, 2010 .

Determination of rotational barriers of c(sp2)-c(sp3) bonds in 2-arylpiperidines. II.1 1h-dnmr and 13c-dnmr studies of the trans-1,3-dimethyl-2-(3,4,5-trimethoxyphenyl)-4-piperidone

E. Giralt, M. Feliz, M. Rubiralta, 1986 .

Molecular dynamics simulation studies of liquid acetonitrile: New six‐site model

Peter A. Kollman, Xavier Grabuleda, P. Kollman, 2000, J. Comput. Chem..

On the reactivity of 5(4H)-oxazolones with amines

J. Mayoral, C. Cativiela, C. Jaime, 1988 .

Domain Formation and Conformational Changes in Gold Nanoparticle Conjugates Studied Using DPD Simulations.

V. Puntes, C. Jaime, A. Raman, 2017, Langmuir : the ACS journal of surfaces and colloids.

Synthesis, Chiroptical Properties and Synthetic Applications of Perhydrotriquinacene-1,4,7-Trione

A. Moyano, C. Almansa, M. A. Pericàs, 1989 .

Molecular mechanics (MM3) study of the conformations of ethyl esters of diastereoisomeric 3-substituted 4,4,4-trichloro-2-cyano-butanoic acids

C. Jaime, P. Ivanov, Margarita P. Mladenova, 2001 .

Molecular mechanics analysis of restricted rotation about pivot bond in substituted bicyclohexyls and phenylcyclohexanes. Importance of successive gauche and progauche sequences in conformational dynamics

E. Ōsawa, C. Jaime, 1985 .

Theoretical and experimental study of a praziquantel and beta-cyclodextrin inclusion complex using molecular mechanic calculations and H1-nuclear magnetic resonance.

M. D. de Jesus, L. Fraceto, Y. Takahata, 2006, Journal of Pharmaceutical and Biomedical Analysis.

Complexation Between tert-Butyl Ketones (I) and β-Cyclodextrin. Structural Study by NMR and MD Simulations.

C. Jaime, M. Zubiaur, 2001 .

Conformational analysis of bridged biphenyls and 2,2'-bipyridines. Empirical force field calculations (MM2-V4)

J. Font, C. Jaime, 1990 .

Crystal and molecular structure of bis(9-triptycyl) ether

Tasuku Ito, E. Ōsawa, C. Jaime, 1984 .

Shuttling Process in [2]Rotaxanes. Modeling by Molecular Dynamics and Free Energy Perturbation Simulations

Petko M. Ivanov, Carlos Jaime, Xavi Grabuleda, 2003 .

Computational studies on pseudorotaxanes by molecular dynamics and free energy perturbation simulations.

Carlos Jaime, Xavi Grabuleda, C. Jaime, 2003, The Journal of organic chemistry.

Molecular Shuttles. A Computational Study (MM and MD) on the Translational Isomerism in Some [2]Rotaxanes

C. Jaime, X. Grabuleda, C. Jaime, 1998 .

Application of empirical potential energy calculations to organic chemistry. Part 22. Restricted internal rotation in substituted 1,1′-bipiperidines, 1-cyclohexylpiperidines, and related molecules due to 1,5-interactions across the pivot bond

E. Ōsawa, C. Jaime, 1984 .

Recognition of paired gaucheP–gaucheM sequences as the source of the rotational barrier in 2,2′-dimethyl-1,1′-bipiperidines

E. Ōsawa, C. Jaime, 1983 .

1,2- and 1,5-stereocontrols in 5-hexenyl radical intramol cyclocondensations: cooperative or antagonist effect. Confrontation of experimental results with MM2 calculations of transition states

S. Gastaldi, M. Bertrand, C. Jaime, 1995 .

On the possibility of determining stereochemistry in acyclic polyhydroxylated compounds by the combined vicinal coupling constant/molecular mechanics method. A test with alditol peracetates

E. Ōsawa, S. Masamune, C. Jaime, 1991 .

Computation of vicinal coupling constants in tetra- and hexa-alditol peracetates using molecular mechanics. A rational approach to conformational analysis in solution

E. Ōsawa, S. Masamune, C. Jaime, 1986 .

Computational Study on the Endohedral Isomers of C60H2

C. Jaime, E. Cervelló, P. Ivanov, 1996 .

Selective deuteration of [(pyridylmethyl)sulfinyl]benzimidazole antisecretory drugs. A NMR study where DMSO-d6 acts as deuteration agent.

A. Marques, C. Jaime, J. Redondo, 2016, Journal of pharmaceutical and biomedical analysis.