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Results: 1-25/26
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., ISOCYANIDES AS HYDROGEN-BOND ACCEPTORS, Theoretical chemistry accounts, 99(2), 1998, pp. 116-123
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., CHARGE-TRANSFER COMPLEXES BETWEEN DIHALOGEN COMPOUNDS AND ELECTRON-DONORS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(46), 1998, pp. 9278-9285
UNUSUAL HYDROGEN-BONDS - H-CENTER-DOT-CENTER-DOT-CENTER-DOT-PI INTERACTIONS (VOL 101, PG 9457, 1997)
Authors:
ROZAS I
ALKORTA I
ELGUERO J
Citation: I. Rozas et al., UNUSUAL HYDROGEN-BONDS - H-CENTER-DOT-CENTER-DOT-CENTER-DOT-PI INTERACTIONS (VOL 101, PG 9457, 1997), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(13), 1998, pp. 2398-2398
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., BOND-LENGTH ELECTRON-DENSITY RELATIONSHIPS - FROM COVALENT BONDS TO HYDROGEN-BOND INTERACTIONS, Structural chemistry, 9(4), 1998, pp. 243-247
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., NONCONVENTIONAL HYDROGEN-BONDS, Chemical Society reviews, 27(2), 1998, pp. 163-170
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., THE ADDITIVE PROPERTIES OF THE ELECTRON-DENSITY AT THE BOND CRITICAL-POINTS IN HYDROGEN-BONDED COMPLEXES, Journal of molecular structure. Theochem, 452, 1998, pp. 227-232
Authors:
ALKORTA I
CAMPILLO N
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., RING STRAIN AND HYDROGEN-BOND ACIDITY, Journal of organic chemistry, 63(22), 1998, pp. 7759-7763
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., RADICALS AS HYDROGEN-BOND ACCEPTORS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 102(3), 1998, pp. 429-435
Authors:
ROZAS I
ALKORTA I
ELGUERO J
Citation: I. Rozas et al., UNUSUAL HYDROGEN-BONDS - H-CENTER-DOT-CENTER-DOT-CENTER-DOT-PI INTERACTIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(49), 1997, pp. 9457-9463
Authors:
ROZAS I
ALKORTA I
ELGUERO J
Citation: I. Rozas et al., INVERSE HYDROGEN-BONDED COMPLEXES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(23), 1997, pp. 4236-4244
Authors:
ALCALDE E
BARAT A
GOYA P
MARTINEZ A
RAMIREZ G
ROCA T
ROZAS I
Citation: E. Alcalde et al., MOLECULAR MODELING OF (E)-1-ALKYL-4(3)-[2-(1H-AZOLYL)VINYL]-PYRIDINIUM SALTS AND EVALUATION OF THEIR BEHAVIOR TOWARDS CHOLINE-ACETYLTRANSFERASE, Bioorganic & medicinal chemistry, 5(5), 1997, pp. 949-954
Authors:
ALKORTA I
ROZAS I
ELGUERO J
Citation: I. Alkorta et al., AN ATTRACTIVE INTERACTION BETWEEN THE PI-CLOUD OF C6F6 AND ELECTRON-DONOR ATOMS, Journal of organic chemistry, 62(14), 1997, pp. 4687-4691
Authors:
ROZAS I
Citation: I. Rozas, ATOMIC CHARGES DERIVED FROM DIFFERENT METHODS - A COMPARATIVE-STUDY APPLIED TO SO2 HETEROCYCLES, International journal of quantum chemistry, 62(5), 1997, pp. 477-487
Authors:
ROZAS I
ALKORTA I
ELGUERO J
Citation: I. Rozas et al., FIELD EFFECTS ON DIHYDROGEN BONDED SYSTEMS, Chemical physics letters, 275(3-4), 1997, pp. 423-428
Authors:
ROZAS I
WEAVER DF
Citation: I. Rozas et Df. Weaver, AB-INITIO STUDY OF THE METHYLSULFONATE AND PHENYLSULFONATE ANIONS, Perkin transactions. 2, (3), 1996, pp. 461-465
Authors:
ROZAS I
MARTIN M
Citation: I. Rozas et M. Martin, MOLECULAR LIPOPHILIC POTENTIAL ON VAN-DER-WAALS SURFACES AS A TOOL INTHE STUDY OF 4-ALKYLPYRAZOLES, Journal of chemical information and computer sciences, 36(4), 1996, pp. 872-878
Authors:
ALKORTA I
ROZAS I
ELGUERO J
FOCESFOCES C
CANO FH
Citation: I. Alkorta et al., A STATISTICAL-SURVEY OF THE CAMBRIDGE-STRUCTURAL-DATABASE CONCERNING DENSITY AND PACKING, Journal of molecular structure, 382(3), 1996, pp. 205-213
Authors:
ROZAS I
DU QS
ARTECA GA
Citation: I. Rozas et al., INTERRELATION BETWEEN ELECTROSTATIC AND LIPOPHILICITY POTENTIALS ON MOLECULAR-SURFACES, Journal of molecular graphics, 13(2), 1995, pp. 98-108
Authors:
DIMMOCK JR
SIDHU KK
TUMBER SD
BASRAN SK
CHEN M
QUAIL JW
YANG J
ROZAS I
WEAVER DF
Citation: Jr. Dimmock et al., SOME ARYL SEMICARBAZONES POSSESSING ANTICONVULSANT ACTIVITIES, European journal of medicinal chemistry, 30(4), 1995, pp. 287-301
Authors:
ECHEVARRIA A
MARTIN M
PEREZ C
ROZAS I
Citation: A. Echevarria et al., SYNTHESIS OF 4-ALKYLPYRAZOLES AS INHIBITORS OF LIVER ALCOHOL-DEHYDROGENASE, Archiv der pharmazie, 327(5), 1994, pp. 303-305
Authors:
ROZAS I
MARTIN M
Citation: I. Rozas et M. Martin, EFFECT OF BRANCHING IN 4-ALKYLPYRAZOLES ON LIVER ALCOHOL-DEHYDROGENASE INHIBITION - A SHAPE-ANALYSIS STUDY, Journal of molecular graphics, 12(4), 1994, pp. 267-274
Authors:
DELAFIGUERA N
ROZAS I
GARCIALOPEZ T
GONZALEZMUNIZ R
Citation: N. Delafiguera et al., -HEXAHYDROINDOLIZINO[8,7-B]INDOLE-5(S)-CARBOXYLATE AS A NEW-TYPE OF BETA-TURN DIPEPTIDE MIMETIC, Journal of the Chemical Society, Chemical Communications, (5), 1994, pp. 613-614
Authors:
ALCALDE E
ROCA T
REDONDO J
ROS B
SERRANO JL
ROZAS I
Citation: E. Alcalde et al., HETEROCYCLIC BETAINES .20. UNCONVENTIONAL EXTENDED PI-SYSTEMS CONTAINING IMIDAZOLIUM (PYRIDINIUM) AND BENZIMIDAZOLATE SUBUNITS - SYNTHESIS AND STRUCTURAL ASPECTS, Journal of organic chemistry, 59(3), 1994, pp. 644-648
Authors:
MO O
YANEZ M
ROZAS I
ELGUERO J
Citation: O. Mo et al., STRUCTURE, VIBRATIONAL FREQUENCIES, AND THERMODYNAMIC PROPERTIES OF HYDROGEN-PEROXIDE DIMERS - AN AB-INITIO MOLECULAR-ORBITAL STUDY, The Journal of chemical physics, 100(4), 1994, pp. 2871-2877
Authors:
MO O
YANEZ M
ROZAS I
ELGUERO J
Citation: O. Mo et al., STRUCTURE, VIBRATIONAL FREQUENCIES AND THERMODYNAMIC PROPERTIES OF HYDROGEN PEROXIDE-WATER DIMERS - AN AB-INITIO MOLECULAR-ORBITAL STUDY, Chemical physics letters, 219(1-2), 1994, pp. 45-52