A B C D E F G H I J K L M N O P Q R S T U V W X-Y Z
Melo, J.I. (8)
Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation
Melo, J.I. - De Azúa, M.C.R. - Peralta, J.E. - Scuseria, G.E.
J Chem Phys 2005;123(20)
2005
Relativistic effects on nuclear magnetic shielding constants in HX and CH 3X(X=Br,l) based on the linear response within the elimination of small component approach
Melo, J.I. - Ruiz De Azua, M.C. - Giribet, C.G. - Aucar, G.A. - Provasi, P.F.
J Chem Phys 2004;121(14):6798-6808
2004
Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods
Arcisauskaite, V. - Melo, J.I. - Hemmingsen, L. - Sauer, S.P.A.
J Chem Phys 2011;135(4)
2011
Formal relations connecting different approaches to calculate relativistic effects on molecular magnetic properties
Zaccari, D.G. - De Azúa, M.C.R. - Melo, J.I. - Giribet, C.G.
J Chem Phys 2006;124(5)
2006
Relativistic effects on the nuclear magnetic shielding tensor
Melo, J.I. - Ruiz de Azua, M.C. - Giribet, C.G. - Aucar, G.A. - Romero, R.H.
J Chem Phys 2003;118(2):471-486
2003
Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X=H,F,Cl,Br,I) compounds
Aucar, I.A. - Gómez, S.S. - Melo, J.I. - Giribet, C.C. - Ruiz De Azúa, M.C.
J Chem Phys 2013;138(13)
2013
Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
Zaccari, D. - Melo, J.I. - Ruiz De Azúa, M.C. - Giribet, C.G.
J Chem Phys 2009;130(8)
2009
Mean field linear response within the elimination of the small component formalism to evaluate relativistic effects on magnetic properties
Roura, P.G. - Melo, J.I. - De Ruiz Azúa, M.C. - Giribet, C.G.
J Chem Phys 2006;125(6)
2006

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