AN AB INITIO STUDY OF THE HARMONIC FORCE FIELD AND VIBRATIONAL FREQUENCIES OF THIONYLIMIDE: BASIS SET AND ELECTRON CORRELATION EFFECTSRAGHAVACHARI K.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 7; PP. 3668-3672; BIBL. 23 REF.Article

A THEORETICAL STUDY OF THE REACTION SURFACE FOR THE H₂O-LI₂O SYSTEMRAGHAVACHARI K.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 11; PP. 5421-5426; BIBL. 30 REF.Article

Rotational potential surface for alkanes: basis set and electron correlation effects on the conformations of n-butaneRAGHAVACHARI, K.The Journal of chemical physics. 1984, Vol 81, Num 3, pp 1383-1388, issn 0021-9606Article

Ground state of C₈₄ : two almost isoenergetic isomersRAGHAVACHARI, K.Chemical physics letters. 1992, Vol 190, Num 5, pp 397-400, issn 0009-2614Article

MOLECULAR ORBITAL STUDY OF THE HOMOCYCLOPROPENYLIUM CATIONHADDON RC; RAGHAVACHARI K.1983; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1983; VOL. 105; NO 1; PP. 118-120; BIBL. 19 REF.Article

AB INITIO POTENTIAL ENERGY CURVE FOR CH BOND DISSOCIATION IN METHANEDUCHOVIC RJ; HASE WL; SCHLEGEL HB et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 89; NO 2; PP. 120-125; BIBL. 22 REF.Article

Oxidation of Si (100) 2 x 1 : thermodynamics of oxygen insertion and migrationSTEFANOV, B. B; RAGHAVACHARI, K.Surface science. 1997, Vol 389, Num 1-3, pp L1159-L1164, issn 0039-6028Article

Theoritical study of small gallium arsenide clustersAL-LAHAM, M; RAGHAVACHARI, K.Chemical physics letters. 1991, Vol 187, Num 1-2, pp 13-20, issn 0009-2614Article

Electronic structures of the negative ions Si₂^--Si^-₁₀ : electron affinities of small silicon clustersRAGHAVACHARI, K; MCMICHAEL ROHLFING, C.The Journal of chemical physics. 1991, Vol 94, Num 5, pp 3670-3678, issn 0021-9606, 9 p.Article

Structure, stability, and fragmentation of small carbon clustersRAGHAVACHARI, K; BINKLEY, J. S.The Journal of chemical physics. 1987, Vol 87, Num 4, pp 2191-2197, issn 0021-9606Article

MOLECULAR ORBITAL STUDY OF SOME PROTONATED BASESDEL BENE JE; FRISCH MJ; RAGHAVACHARI K et al.1982; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 9; PP. 1529-1535; BIBL. 36 REF.Article

Electronic structure and bonding in icosahedral C₆₀HADDON, R. C; BRUS, L. E; RAGHAVACHARI, K et al.Chemical physics letters. 1986, Vol 125, Num 5-6, pp 459-464, issn 0009-2614Article

The accurate determination of enthalpies of formationCURTISS, L. A; RAGHAVACHARI, K; POPLE, J. A et al.Chemical physics letters. 1993, Vol 214, Num 2, pp 183-185, issn 0009-2614Article

The importance of f functions and 3d electron correlation effects in the bonding in Cu₂SUNIL, K. K; JORDAN, K. D; RAGHAVACHARI, K et al.Journal of physical chemistry (1952). 1985, Vol 89, Num 3, pp 457-459, issn 0022-3654Article

Theoretical study of Ga₄As₄, Al₄P₄, and Mg₄S₄ clustersAL-LAHAM, M. A; RAGHAVACHARI, K.The Journal of chemical physics. 1993, Vol 98, Num 11, pp 8770-8776, issn 0021-9606Article

Rehybridization and π-orbital alignment: the key to the existence of spheroidal carbon clustersHADDON, R. C; BRUS, L. E; RAGHAVACHARI, K et al.Chemical physics letters. 1986, Vol 131, Num 3, pp 165-169, issn 0009-2614Article

Theoretical study of the bonding in CuH and Cu₂RAGHAVACHARI, K; SUNIL, K. K; JORDAN, K. D et al.The Journal of chemical physics. 1985, Vol 83, Num 9, pp 4633-4640, issn 0021-9606Article

Highly correlated systems: structure, binding energy and harmonic vibrational frequencies of ozoneRAGHAVACHARI, K; TRUCKS, G. W; POPLE, J. A et al.Chemical physics letters. 1989, Vol 158, Num 3-4, pp 207-212, issn 0009-2614, 6 p.Article

Photoinduced electron-transfer reactions: evidence for two different radical cations of hexamethyl(Dewar benzene)RIOTH, H. D; SCHILLING, M. L. M; RAGHAVACHARI, K et al.Journal of the American Chemical Society. 1984, Vol 106, Num 1, pp 253-255, issn 0002-7863Article

Methyllithium and its oligomers. Structural and energetic relationshipsKAUFMANN, E; RAGHAVACHARI, K; REED, A. E et al.Organometallics. 1988, Vol 7, Num 7, pp 1597-1607, issn 0276-7333Article

Size-consistent Brueckner theory limited to double and triple substitutionsRAGHAVACHARI, K; POPLE, J. A; REPLOGLE, E. S et al.Chemical physics letters. 1990, Vol 167, Num 1-2, pp 115-121, issn 0009-2614, 7 p.Article

Gaussian-2 theory for molecular energies of first-and second-row compoundsCURTISS, L. A; RAGHAVACHARI, K; TRUCKS, G. W et al.The Journal of chemical physics. 1991, Vol 94, Num 11, pp 7221-7230, issn 0021-9606Article

Validity of additivity approximations used in GAUSSIAN-2 theoryCURTISS, L. A; CARPENTER, J. E; RAGHAVACHARI, K et al.The Journal of chemical physics. 1992, Vol 96, Num 12, pp 9030-9034, issn 0021-9606Article

Fifth-order Møller-Plesset perturbation theory : comparison of existing correlation methods and implementation of new methods correct to fifth orderRAGHAVACHARI, K; POPLE, J. A; REPLOGLE, E. S et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 14, pp 5579-5586, issn 0022-3654Conference Paper

Hyperconjugative distortions and the cyclopentyl cation structureVON RAGUE SCHLEYER, P; CARNEIRO, J. W. DE M; KOCH, W et al.Journal of the American Chemical Society. 1989, Vol 111, Num 14, pp 5475-5477, issn 0002-7863, 3 p.Article