Rubén H. Contreras - Publications, H-index & Citations

Rubén H. Contreras

University of Buenos Aires

31H指数

225论文数

4.2K被引数

收录论文 12

发表时间

Heavy Halogen Atom Effect on 13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-07-30

PREAI

Cunha Neto, Alvaro; Ducati, Lucas C.; Rittner, Roberto; Tormena, Claudio F.; Contreras, Ruben H.; Frenking, Gernot

Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2008-11-01

PREAI

Pedersoli, Susimaire; Tormena, Claudio F.; dos Santos, Francisco P.; Contreras, Ruben H.; Rittner, Roberto

Karplus equation for 3JHH spin-spin couplings with unusual 3J(180°) < 3J(0°) relationship

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2008-08-14

PREAI

Contreras, R. H.; Suardiaz, R.; Perez, C.; Crespo-Otero, R.; Fabian, J. San; de la Vega, J. M. Garcia

Lone-pair orientation effect of an α-oxygen atom on 1JCC NMR spin-spin coupling constants in o-substituted phenols.: Experimental and DFT study

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2007-05-02

PREAI

Taurian, Oscar E.; Contreras, Ruben H.; De Kowalewski, Dora G.; Perez, Jorge E.; Tormena, Claudio F.

Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C70

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2004-05-26

PREAI

Peralta, JE; Barone, V; Scuseria, GE; Contreras, RH

On the capriciousness of the FCCF Karplus curve

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-07-27

PREAI

Kurtkaya, S; Barone, V; Peralta, JE; Contreras, RH; Snyder, JP

Through-bond and through-space JFF spin-spin coupling in peridifluoronaphthalenes:: Accurate DFT evaluation of the four contributions

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2001-08-23

PREAI

Peralta, JE; Barone, V; Contreras, RH; Zaccari, DG; Snyder, JP

NMR 3J(C1, H3) couplings in 1-X-bicyclo[1.1.1] pentanes. FPT-DFT and NBO studies of hyperconjugative interactions and heavy atom substituent effects

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2001-08-14

PREAI

Barone, V; Peralta, JE; Contreras, RH

The polar bond-polarizable bond interaction in 1-X,2-methoxy naphthalenes. An experimental and theoretical study

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2000-12-01

PREAI

Contreras, RH; Taurian, OE; Ortiz, FS; Peralta, JE

Implementation of atomic basis set composed of 1s Gaussian and 1s Slater-type orbitals to carry out quantum mechanics molecular calculations 实现由1s高斯和1s斯莱特型轨道组成的原子基集进行量子力学分子计算

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

1999-04-30

PREAI

Cesco, JC; Denner, CC; Giubergia, GO; Ross, AE; Pérez, JE; Ortiz, FS; Taurian, OE; Contreras, RH

C3-Mα bond contribution to polarizability tensor and 3J(C1Mα) NMR coupling constant in 1-X-3-M-bicyclo[1.1.1]pentanes

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

1998-01-30

PREAI

Giribet, CG; de Azúa, MCR; Gómez, SB; Botek, EL; Contreras, RH; Adcock, W; Della, EW; Krstic, AR; Lochert, IJ

IPPP - A PROGRAM FOR THE RPA CALCULATION OF TRANSMISSION MECHANISMS OF SPIN SPIN COUPLING-CONSTANTS

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

1986-04-01

PREAI

ENGELMANN, AR; NATIELLO, MA; SCUSERIA, GE; CONTRERAS, RH

研究方向