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Results: 25
Authors:
Marti, S
Andres, J
Moliner, V
Silla, E
Tunon, I
Bertran, J
Citation: S. Marti et al., Transition structure selectivity in enzyme catalysis: a QM/MM study of chorismate mutase, THEOR CH AC, 105(3), 2001, pp. 207-212
Authors:
Simon, S
Bertran, J
Sodupe, M
Citation: S. Simon et al., Effect of counterpoise correction on the geometries and vibrational frequencies of hydrogen bonded systems, J PHYS CH A, 105(17), 2001, pp. 4359-4364
Authors:
Font, M
Feliubadalo, L
Estivill, X
Nunes, V
Golomb, E
Kreiss, Y
Pras, E
Bisceglia, L
d'Adamo, AP
Zelante, L
Gasparini, P
Bassi, MT
George, AL
Manzoni, M
Riboni, M
Ballabio, A
Borsani, G
Reig, N
Fernandez, E
Zorzano, A
Bertran, J
Palacin, M
Citation: M. Font et al., Functional analysis of mutations in SLC7A9, and genotype-phenotype correlation in non-Type I cystinuria, HUM MOL GEN, 10(4), 2001, pp. 305-316
Authors:
Noguera, M
Rodriguez-Santiago, L
Sodupe, M
Bertran, J
Citation: M. Noguera et al., Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities, J MOL ST-TH, 537, 2001, pp. 307-318
Authors:
Rodriguez-Santiago, L
Vendrell, O
Tejero, I
Sodupe, M
Bertran, J
Citation: L. Rodriguez-santiago et al., Solvent-assisted catalysis in the enolization of acetaldehyde radical cation, CHEM P LETT, 334(1-3), 2001, pp. 112-118
Authors:
Margalida, A
Bertran, J
Citation: A. Margalida et J. Bertran, Function and temporal variation in use of ossuaries by Bearded Vultures (Gypaetus barbatus) during the nestling period, AUK, 118(3), 2001, pp. 785-789
Authors:
Marti, S
Andres, J
Moliner, V
Silla, E
Tunon, I
Bertran, J
Field, MJ
Citation: S. Marti et al., A hybrid potential reaction path and free energy study of the chorismate mutase reaction, J AM CHEM S, 123(8), 2001, pp. 1709-1712
Authors:
Marti, S
Andres, J
Moliner, V
Silla, E
Tunon, I
Bertran, J
Citation: S. Marti et al., A QM/MM study of the conformational equilibria in the chorismate mutase active site. The role of the enzymatic deformation energy contribution, J PHYS CH B, 104(47), 2000, pp. 11308-11315
Authors:
Rodriguez-Santiago, L
Sodupe, M
Oliva, A
Bertran, J
Citation: L. Rodriguez-santiago et al., Intramolecular proton transfer in glycine radical cation, J PHYS CH A, 104(6), 2000, pp. 1256-1261
Authors:
Palacin, M
Bertran, J
Zorzano, A
Citation: M. Palacin et al., Heteromeric amino acid transporters explain inherited aminoacidurias, CURR OP NEP, 9(5), 2000, pp. 547-553
Authors:
Pulkkinen, S
Noguera, M
Rodriguez-Santiago, L
Sodupe, M
Bertran, J
Citation: S. Pulkkinen et al., Gas phase intramolecular proton transfer in cationized glycine and chlorine substituted derivatives (M-gly, M = Na+, Mg2+, Cu+, Ni+, and Cu2+): Existence of zwitterionic structures?, CHEM-EUR J, 6(23), 2000, pp. 4393-4399
Authors:
Margalida, A
Bertran, J
Citation: A. Margalida et J. Bertran, Nest-building behaviour of the Bearded Vulture Gypaetus barbatus, ARDEA-T NED, 88(2), 2000, pp. 259-264
Authors:
Villa, J
Bentzien, J
Gonzalez-Lafont, A
Lluch, JM
Bertran, J
Warshel, A
Citation: J. Villa et al., Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions, J COMPUT CH, 21(8), 2000, pp. 607-625
Authors:
Margalida, A
Bertran, J
Citation: A. Margalida et J. Bertran, Breeding behaviour of the Bearded Vulture Gypaetus barbatus: minimal sexual differences in parental activities, IBIS, 142(2), 2000, pp. 225-234
Authors:
Bertran, J
Rodriguez-Santiago, L
Sodupe, M
Citation: J. Bertran et al., The different nature of bonding in Cu+-glycine and Cu2+-glycine, J PHYS CH B, 103(12), 1999, pp. 2310-2317
Authors:
Pitarch, J
Pascual-Ahuir, JL
Silla, E
Tunon, I
Ruiz-Lopez, MF
Millot, C
Bertran, J
Citation: J. Pitarch et al., Molecular dynamics simulation in aqueous solution of N-methylazetidinone as a model of beta-lactam antibiotics, THEOR CH AC, 101(5), 1999, pp. 336-342
Authors:
Sodupe, M
Bertran, J
Rodriguez-Santiago, L
Baerends, EJ
Citation: M. Sodupe et al., Ground state of the (H2O)(2)(+) radical cation: DFT versus post-Hartree-Fock methods, J PHYS CH A, 103(1), 1999, pp. 166-170
Authors:
Camanyes, S
Maseras, F
Moreno, N
Lledos, A
Lluch, JM
Bertran, J
Citation: S. Camanyes et al., Theoretical study of the effect of Lewis acids on dihydrogen elimination from niobocene trihydrides, CHEM-EUR J, 5(4), 1999, pp. 1166-1171
Authors:
Bertran, J
Claussen, B
Citation: J. Bertran et B. Claussen, The ICOH Working Group "Unemployment and Health" Paris 25-26 September 1998: an introduction, INT A OCCUP, 72, 1999, pp. S3-S5
Authors:
Valty, J
Freal, S
Khoa, CN
Demoulin, D
Bertran, J
Citation: J. Valty et al., A multifactorial health risk questionnaire, INT A OCCUP, 72, 1999, pp. S6-S7
Authors:
Forster, B
Bertran, J
Teixidor, F
Vinas, C
Citation: B. Forster et al., Synthesis of new arylcarboranes as precursors for oligomers, J ORGMET CH, 587(1), 1999, pp. 67-73
Authors:
Vinas, C
Gomez, S
Bertran, J
Barron, J
Teixidor, F
Dozol, JF
Rouquette, H
Kivekas, R
Sillanpaa, R
Citation: C. Vinas et al., C-substituted bis(dicarbollide) metal compounds as sensors and extractantsof radionuclides from nuclear wastes, J ORGMET CH, 581(1-2), 1999, pp. 188-193
Authors:
Bertran, J
Margalida, A
Citation: J. Bertran et A. Margalida, Copulatory behavior of the bearded vulture, CONDOR, 101(1), 1999, pp. 164-168
Authors:
Rodriguez-Santiago, L
Sodupe, M
Oliva, A
Bertran, J
Citation: L. Rodriguez-santiago et al., Hydrogen atom or proton transfer in neutral and single positive ions of salicylic acid and related compounds, J AM CHEM S, 121(38), 1999, pp. 8882-8890
Authors:
Ruiz-Lopez, MF
Oliva, A
Tunon, I
Bertran, J
Citation: Mf. Ruiz-lopez et al., Self-consistent reaction field calculations of nonequilibrium solvent effects on proton transfer processes through low-barrier hydrogen bonds, J PHYS CH A, 102(52), 1998, pp. 10728-10735
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