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    Computational Chemistry Is A Branch of

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    Boobalan Maria Susai
    Computational chemistry uses computer simulation to solve chemical problems by calculating molecular structures and properties through theoretical chemistry methods implemented in programs. It is necessary because the quantum many-body problem cannot be solved analytically except for simple cases like hydrogen molecular ions. Computational chemistry is widely used to design new drugs and materials by complementing experimental results and sometimes predicting new chemical phenomena.

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    Computational Chemistry Is A Branch of

    Uploaded by

    Boobalan Maria Susai
    21 views1 page
    Computational chemistry uses computer simulation to solve chemical problems by calculating molecular structures and properties through theoretical chemistry methods implemented in programs. It is necessary because the quantum many-body problem cannot be solved analytically except for simple cases like hydrogen molecular ions. Computational chemistry is widely used to design new drugs and materials by complementing experimental results and sometimes predicting new chemical phenomena.

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    Comp Chem

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    CC

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    Computational chemistry uses computer simulation to solve chemical problems by calculating molecular structures and properties through theoretical chemistry methods implemented in programs. It is necessary because the quantum many-body problem cannot be solved analytically except for simple cases like hydrogen molecular ions. Computational chemistry is widely used to design new drugs and materials by complementing experimental results and sometimes predicting new chemical phenomena.

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    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    21 views1 page

    Computational Chemistry Is A Branch of

    Uploaded by

    Boobalan Maria Susai
    Computational chemistry uses computer simulation to solve chemical problems by calculating molecular structures and properties through theoretical chemistry methods implemented in programs. It is necessary because the quantum many-body problem cannot be solved analytically except for simple cases like hydrogen molecular ions. Computational chemistry is widely used to design new drugs and materials by complementing experimental results and sometimes predicting new chemical phenomena.

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    © All Rights Reserved
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    Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving

    chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer
    programs, to calculate the structures and properties of molecules and solids. Its necessity arises from
    the fact that apart from relatively recent results concerning the hydrogen molecular ion (see
    references therein for more details) the quantum many-body problem cannot be solved analytically,
    much less in closed form. While computational results normally complement the information obtained
    by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is
    widely used in the design of new drugs and materials.

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