Teplukhin, Alexander V. : rechercher sur Z-Library

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1

Low-frequency intra- and intermolecular vibration modes of H-bonded nucleobases in oligonucleotide double helixes and hydrated nucleotide duplex: Application of the PM3 method

Artem V. Kabanov, Vladislav M. Komarov, Ludmila V. Yakushevich, Alexander V. Teplukhin

Journal:

International Journal of Quantum Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 168 KB

english, 2004

2

Interactive tool for visualization of adiabatic adjustment in APH coordinates for computational studies of vibrational motion and chemical reactions

Teplukhin, Alexander, Babikov, Dmitri

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 707 KB

english, 2014

3

Monte Carlo Simulation of Hydration of the Guanine-Uracil Pairs with Guanine in Two Tautomeric Forms: Contribution of Water Bridging to Relative Stability of Mispairs

Poltev, Valery I., Teplukhin, Alexander V., Kwiatkowski, Jozef S.

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

1992

Langue:

english

Fichier:

PDF, 560 KB

english, 1992

4

Monte Carlo Simulation of DNA Fragment Hydration in the Presence of Alkaline Cations Using Novel Atom-Atom Potential Functions

Teplukhin, Alexander V., Malenkov, George G., Poltev, Valery I.

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

1998

Langue:

english

Fichier:

PDF, 980 KB

english, 1998

5

Visualization of Potential Energy Function Using an Isoenergy Approach and 3D Prototyping

Teplukhin, Alexander, Babikov, Dmitri

Journal:

Journal of Chemical Education

Année:

2015

Langue:

english

Fichier:

PDF, 3.63 MB

english, 2015

6

Frozen rotor approximation in the mixed quantum∕classical theory for collisional energy transfer: Application to ozone stabilization

Teplukhin, Alexander, Ivanov, Mikhail, Babikov, Dmitri

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2013

7

A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependencies

Teplukhin, Alexander, Babikov, Dmitri

Journal:

Physical Chemistry Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 6.22 MB

english, 2016

8

One possible source of mass-independent fractionation of sulfur isotopes in the Archean atmosphere of Earth

Babikov, Dmitri, Semenov, Alexander, Teplukhin, Alexander

Journal:

Geochimica et Cosmochimica Acta

Année:

2017

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2017

9

Efficient method for calculations of ro-vibrational states in triatomic molecules near dissociation threshold: Application to ozone

Teplukhin, Alexander, Babikov, Dmitri

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 2.35 MB

english, 2016

10

Properties of Feshbach and “shape”-resonances in ozone and their role in recombination reaction and anomalous isotope effect

Teplukhin, Alexander, Babikov, Dmitri

Journal:

Faraday Discussions

Année:

2018

Langue:

english

Fichier:

PDF, 1.72 MB

english, 2018

11

Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect

Teplukhin, Alexander, Babikov, Dmitri

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 2.83 MB

english, 2018

12

Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings

Teplukhin, Alexander, Gayday, Igor, Babikov, Dmitri

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 2.65 MB

english, 2018

13

Computational analysis of vibrational modes in tetra-sulfur using dimensionally reduced potential energy surface

Gayday, Igor, Teplukhin, Alexander, Babikov, Dmitri

Journal:

Molecular Physics

Année:

2019

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2019

14

The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2

Gayday, Igor, Teplukhin, Alexander, Babikov, Dmitri

Journal:

The Journal of Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2019

15

Three-dimensional potential energy surfaces of ArNO (XÌâ2Î )

Teplukhin, Alexander, Kendrick, Brian K.

Journal:

The Journal of Chemical Physics

Année:

2020

Langue:

english

Fichier:

PDF, 2.25 MB

english, 2020

16

The role of rotationâvibration coupling in symmetric and asymmetric isotopomers of ozone

Gayday, Igor, Teplukhin, Alexander, Kendrick, Brian K., Babikov, Dmitri

Journal:

The Journal of Chemical Physics

Année:

2020

Fichier:

PDF, 2.85 MB

2020

17

Theoretical Treatment of the Coriolis Effect Using Hyperspherical Coordinates, with Application to the Ro-Vibrational Spectrum of Ozone

Gayday, Igor, Teplukhin, Alexander, Kendrick, Brian K., Babikov, Dmitri

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 1.77 MB

2020

18

Solving complex eigenvalue problems on a quantum annealer with applications to quantum scattering resonances

Teplukhin, Alexander, Kendrick, Brian, Babikov, Dmitri

Journal:

Physical Chemistry Chemical Physics

Année:

2020

Fichier:

PDF, 2.44 MB

2020

19

Electronic structure with direct diagonalization on a D-wave quantum annealer

Teplukhin, Alexander, Kendrick, Brian K., Tretiak, Sergei, Dub, Pavel A.

Journal:

Scientific Reports

Année:

2020

Fichier:

PDF, 1.34 MB

2020