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Marat Valiev

Showing results (1-10 of 48) with videos related to

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The Journal of Physical Chemistry. A|December 1, 2006
Asymptotic extrapolation scheme for large-scale calculations with hybrid coupled cluster and molecular dynamics simulationsKarol Kowalski, Marat Valiev
The Journal of Chemical Physics|December 23, 2009
Extensive regularization of the coupled cluster methods based on the generating functional formalism: application to gas-phase benchmarks and to the SN2 reaction of CHCl3 and OH- in waterKarol Kowalski, Marat Valiev
The Journal of Chemical Physics|December 15, 2006
Hybrid coupled cluster and molecular dynamics approach: application to the excitation spectrum of cytosine in the native DNA environmentMarat Valiev, Karol Kowalski
The Journal of Physical Chemistry. A|September 21, 2011
Structural and mechanistic analysis through electronic spectra: aqueous hyponitrite radical (N2O2-) and nitrosyl hyponitrite anion (N3O3-)Marat Valiev, Sergei V Lymar
The Journal of Chemical Physics|November 15, 2022
Molecular-based analysis of nanoparticle solvation: Classical density functional approachGennady Chuev, Mohammadhasan Dinpajooh, Marat Valiev
The Journal of Chemical Physics|February 27, 2008
Fast electron correlation methods for molecular clusters without basis set superposition errorsMuneaki Kamiya, So Hirata, Marat Valiev
The Journal of Physical Chemistry. A|September 28, 2011
Hybrid quantum mechanical/molecular mechanics study of the S(N)2 reaction of CH3Cl+OH- in waterHongyun Yin, Dunyou Wang, Marat Valiev
Journal of the American Chemical Society|February 28, 2009
A dianionic phosphorane intermediate and transition states in an associative A(N)+D(N) mechanism for the ribonucleaseA hydrolysis reactionBrigitta Elsässer, Marat Valiev, John H Weare
Journal of Inorganic Biochemistry|September 8, 2014
Decomposition of amino diazeniumdiolates (NONOates): molecular mechanismsNizamuddin Shaikh, Marat Valiev, Sergei V Lymar
The Journal of Physical Chemistry. A|February 11, 2011
CH2Cl2 + OH- reaction in aqueous solution: a combined quantum mechanical and molecular mechanics studyDunyou Wang, Marat Valiev, Bruce C Garrett
Pageof 5

Showing results (1-10 of 48) with videos related to

Sort By:
Pageof 5
The Journal of Physical Chemistry. A|December 1, 2006
Asymptotic extrapolation scheme for large-scale calculations with hybrid coupled cluster and molecular dynamics simulationsKarol Kowalski, Marat Valiev
The Journal of Chemical Physics|December 23, 2009
Extensive regularization of the coupled cluster methods based on the generating functional formalism: application to gas-phase benchmarks and to the SN2 reaction of CHCl3 and OH- in waterKarol Kowalski, Marat Valiev
The Journal of Chemical Physics|December 15, 2006
Hybrid coupled cluster and molecular dynamics approach: application to the excitation spectrum of cytosine in the native DNA environmentMarat Valiev, Karol Kowalski
The Journal of Physical Chemistry. A|September 21, 2011
Structural and mechanistic analysis through electronic spectra: aqueous hyponitrite radical (N2O2-) and nitrosyl hyponitrite anion (N3O3-)Marat Valiev, Sergei V Lymar
The Journal of Chemical Physics|November 15, 2022
Molecular-based analysis of nanoparticle solvation: Classical density functional approachGennady Chuev, Mohammadhasan Dinpajooh, Marat Valiev
The Journal of Chemical Physics|February 27, 2008
Fast electron correlation methods for molecular clusters without basis set superposition errorsMuneaki Kamiya, So Hirata, Marat Valiev
The Journal of Physical Chemistry. A|September 28, 2011
Hybrid quantum mechanical/molecular mechanics study of the S(N)2 reaction of CH3Cl+OH- in waterHongyun Yin, Dunyou Wang, Marat Valiev
Journal of the American Chemical Society|February 28, 2009
A dianionic phosphorane intermediate and transition states in an associative A(N)+D(N) mechanism for the ribonucleaseA hydrolysis reactionBrigitta Elsässer, Marat Valiev, John H Weare
Journal of Inorganic Biochemistry|September 8, 2014
Decomposition of amino diazeniumdiolates (NONOates): molecular mechanismsNizamuddin Shaikh, Marat Valiev, Sergei V Lymar
The Journal of Physical Chemistry. A|February 11, 2011
CH2Cl2 + OH- reaction in aqueous solution: a combined quantum mechanical and molecular mechanics studyDunyou Wang, Marat Valiev, Bruce C Garrett
Pageof 5