SEMIEMPIRICAL QUANTUM CHEMICAL PM6 METHOD AUGMENTED BY DISPERSION AND H-BONDING CORRECTION TERMS RELIABLY DESCRIBES VARIOUS TYPES OF NONCOVALENT COMPLEXES

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REZAC J.; FANFRLIK J.; SALAHUB D.

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Journal: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Year:2009 | Volume:5 | Issue:7 Page(s): 1749-1760

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Title

SEMIEMPIRICAL QUANTUM CHEMICAL PM6 METHOD AUGMENTED BY DISPERSION AND H-BONDING CORRECTION TERMS RELIABLY DESCRIBES VARIOUS TYPES OF NONCOVALENT COMPLEXES

Author(s)

REZAC J. | FANFRLIK J. | SALAHUB D. | Issue Writer Certificate

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Abstract

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SEMIEMPIRICAL INVESTIGATIONS ON THE STABILIZATION ENERGIES AND IONIC HYDROGEN-BONDED STRUCTURES OF F-(H2O)N AND CL- (H2O)N (N=1-4) CLUSTERS

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APA: Copy

REZAC, J., FANFRLIK, J., & SALAHUB, D.. (2009). SEMIEMPIRICAL QUANTUM CHEMICAL PM6 METHOD AUGMENTED BY DISPERSION AND H-BONDING CORRECTION TERMS RELIABLY DESCRIBES VARIOUS TYPES OF NONCOVALENT COMPLEXES. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 5(7), 1749-1760. SID. https://sid.ir/paper/628144/en

Vancouver: Copy

REZAC J., FANFRLIK J., SALAHUB D.. SEMIEMPIRICAL QUANTUM CHEMICAL PM6 METHOD AUGMENTED BY DISPERSION AND H-BONDING CORRECTION TERMS RELIABLY DESCRIBES VARIOUS TYPES OF NONCOVALENT COMPLEXES. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[Internet]. 2009;5(7):1749-1760. Available from: https://sid.ir/paper/628144/en

IEEE: Copy

J. REZAC, J. FANFRLIK, and D. SALAHUB, “SEMIEMPIRICAL QUANTUM CHEMICAL PM6 METHOD AUGMENTED BY DISPERSION AND H-BONDING CORRECTION TERMS RELIABLY DESCRIBES VARIOUS TYPES OF NONCOVALENT COMPLEXES,” JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 5, no. 7, pp. 1749–1760, 2009, [Online]. Available: https://sid.ir/paper/628144/en

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