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1

Dynamics of vibrational energy exchange in collisions of OH and OD radicals with N2. Application to the kinetics of OH-vibrational deactivation in the upper atmosphere

D.V. Shalashilin, S.Ya. Umanskii, Yu.M. Gershenzon

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 936 KB

english, 1992

2

Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine

Shalashilin, Dmitrii V.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 424 KB

english, 2010

3

Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach

Fernandez-Alberti, Sebastian, Makhov, Dmitry V., Tretiak, Sergei, Shalashilin, Dmitrii V.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.36 MB

english, 2016

4

The effect of sampling techniques used in the multiconfigurational Ehrenfest method

Symonds, C., Kattirtzi, J. A., Shalashilin, D. V.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.44 MB

english, 2018

5

Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states

Green, James A., Shalashilin, Dmitrii V.

Journal:

Physical Review A

Year:

2019

Language:

english

File:

PDF, 3.65 MB

english, 2019

6

Quantum system-bath dynamics with quantum superposition sampling and coupled generalized coherent states

Bramley, Oliver, Symonds, Christopher, Shalashilin, Dmitrii V.

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.23 MB

english, 2019

7

ChemInform Abstract: Intramolecular Dynamics Diffusion Theory: Nonstatistical Unimolecular Reaction Rates

D. V. SHALASHILIN, D. L. THOMPSON

Journal:

Year:

1998

File:

PDF, 24 KB

1998

8

The quasiclassical approximation in Delos—Thorson close-coupled equations for inelastic scattering

D.V. Shalashilin, A.V. Michtchenko, F. Lara

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 546 KB

english, 1993

9

Close coupled equations for inelastic scattering in the quasiclassical approximation. The equations for normalized amplitudes

D.V. Shalashilin

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 399 KB

english, 1995

10

The cauchy problem for mechanical systems with a finite number of degrees of freedom as a problem of continuation on the best parameter

Ye.B. Kuznetsov, V.I. Shalashilin

Journal:

Journal of Applied Mathematics and Mechanics

Year:

1994

Language:

english

File:

PDF, 631 KB

english, 1994

11

Vibronic approach to dynamics of charge transfer in the [ArN2]+ system

E.E. Nikitin, M.Ya. Ovchinnikova, D.V. Shalashilin

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.23 MB

english, 1987

12

Mechanisms of double ionization in strong laser field from simulation with Coupled Coherent States: Beyond reduced dimensionality models

Dmitrii V. Shalashilin, Mark S. Child, Adam Kirrander

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 383 KB

english, 2008

13

The phase space CCS approach to quantum and semiclassical molecular dynamics for high-dimensional systems

Dmitrii V Shalashilin, Mark S Child

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 416 KB

english, 2004

14

Quantum dynamics simulations of energy redistribution in HO–SO2

Stewart K. Reed, David R. Glowacki, Dmitrii V. Shalashilin

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 441 KB

english, 2010

15

The relations of deformation theory in the quadratic approximation and the problems of constructing improved versions of the geometrically non-linear theory of laminated structures

V.N. Paimushin, V.I. Shalashilin

Journal:

Journal of Applied Mathematics and Mechanics

Year:

2005

Language:

english

File:

PDF, 1.05 MB

english, 2005

16

Geometrically non-linear equations in the theory of momentless shells with applications to problems on the non-classical forms of loss of stability of a cylinder

V.N. Paimushin, V.I. Shalashilin

Journal:

Journal of Applied Mathematics and Mechanics

Year:

2006

Language:

english

File:

PDF, 282 KB

english, 2006

17

Guiding paths and time-dependent basis sets for wavefunction propagation

Dmitrii V. Shalashilin, Bret Jackson

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 258 KB

english, 2000

18

Initial value representation for the classical propagator and S-matrix with the help of coherent states

Dmitrii V. Shalashilin, Bret Jackson

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 155 KB

english, 1998

19

Continuation with respect to a parameter in nonlinear elasticity theory problems

É. I. Grigolyuk, V. I. Shalashilin

Journal:

Journal of Applied Mechanics and Technical Physics

Year:

1980

Language:

english

File:

PDF, 284 KB

english, 1980

20

Test of the asymptotic method as applied to atom-diatom interaction potentials

E. E. Nikitin, Ch. Ottinger, D. V. Shalashilin

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1996

Language:

english

File:

PDF, 1.04 MB

english, 1996

21

Load-carrying capacity of conical structural elements

V. P. Lyanzberg, V. I. Shalashilin

Journal:

International Applied Mechanics

Year:

1996

Language:

english

File:

PDF, 318 KB

english, 1996

22

Estimation of the carrying capacity of conical acrylic windows

V. P. Lyanzberg, V. I. Shalashilin

Journal:

Journal of Applied Mechanics and Technical Physics

Year:

1997

Language:

english

File:

PDF, 409 KB

english, 1997

23

The best many-dimensional parametrization

E. B. Kuznetsov, V. I. Shalashilin

Journal:

Differential Equations

Year:

2000

Language:

english

File:

PDF, 259 KB

english, 2000

24

A method to identify hysteresis by an example of an antigalloping device

A. N. Danilin, V. I. Shalashilin

Journal:

International Applied Mechanics

Year:

2010

Language:

english

File:

PDF, 200 KB

english, 2010

25

Implicit algorithms for solving the Cauchy problem for the equations of the dynamics of mechanical systems

A.N Danilin, Ye.B Kuznetsov, V.I Shalashilin

Journal:

Journal of Applied Mathematics and Mechanics

Year:

2003

Language:

english

File:

PDF, 951 KB

english, 2003

26

Refined equations of the average bending of three-layer shells and shear forms of stability loss

V. N. Paimushin, V. I. Shalashilin

Journal:

Doklady Physics

Year:

2003

Language:

english

File:

PDF, 78 KB

english, 2003

27

Consistent variant of continuum deformation theory in the quadratic approximation

V. N. Paimushin, V. I. Shalashilin

Journal:

Doklady Physics

Year:

2004

Language:

english

File:

PDF, 63 KB

english, 2004

28

Numerical modeling of the problem of strong nonlinear deformation in Eulerian coordinates

M. S. Agapov, E. B. Kuznetsov, V. I. Shalashilin

Journal:

Mathematical Models and Computer Simulations

Year:

2009

Language:

english

File:

PDF, 182 KB

english, 2009

29

Studies of quality of geometrically nonlinear elasticity theory for small strains and arbitrary displacements

D. V. Berezhnoi, V. N. Paimushin, V. I. Shalashilin

Journal:

Mechanics of Solids

Year:

2009

Language:

english

File:

PDF, 591 KB

english, 2009

30

Conical acrylic portholes under short-term load

V. P. Lyanzberg, V. I. Shalashilin

Journal:

Strength of Materials

Year:

1983

Language:

english

File:

PDF, 418 KB

english, 1983

31

Modeling of quantum-information processing with Ehrenfest guided trajectories: A case study with spin-boson-like couplings

Ye, Sai-Yun, Shalashilin, Dmitrii, Serafini, Alessio

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 1.64 MB

english, 2012

32

On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method

Saita, Kenichiro, Shalashilin, Dmitrii V.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 901 KB

english, 2012

33

A note on stochastic methods for trajectory simulations of atom–surface collisions

Dmitrii V. Shalashilin, Bret Jackson, Sture Nordholm

Journal:

Surface Science

Year:

2000

Language:

english

File:

PDF, 188 KB

english, 2000

34

Eley–Rideal and hot-atom reactions of H(D) atoms with D(H)-covered Cu(111) surfaces; quasiclassical studies

Shalashilin, Dmitrii V., Jackson, Bret, Persson, Mats

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 446 KB

english, 1999

35

A first-principles potential energy surface for Eley–Rideal reaction dynamics of H atoms on Cu(111)

Persson, M., Strömquist, J., Bengtsson, L., Jackson, B., Shalashilin, D. V., Hammer, B.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 554 KB

english, 1999

36

Numerical Implementation and Test of the Modified Variational Multiconfigurational Gaussian Method for High-Dimensional Quantum Dynamics

Ronto, Miklos, Shalashilin, Dmitrii V.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

37

Boxed Molecular Dynamics: A Simple and General Technique for Accelerating Rare Event Kinetics and Mapping Free Energy in Large Molecular Systems

Glowacki, David R., Paci, Emanuele, Shalashilin, Dmitrii V.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 858 KB

english, 2009

38

Boxed Molecular Dynamics: Decorrelation Time Scales and the Kinetic Master Equation

Glowacki, David R., Paci, Emanuele, Shalashilin, Dmitrii V.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 923 KB

english, 2011

39

Time dependent quantum propagation in phase space

Shalashilin, Dmitrii V., Child, Mark S.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 384 KB

english, 2000

40

Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method

Saita, Kenichiro, Nix, Michael G. D., Shalashilin, Dmitrii V.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.63 MB

english, 2013

41

Multidimensional quantum propagation with the help of coupled coherent states

Shalashilin, Dmitrii V., Child, Mark S.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 273 KB

english, 2001

42

Dynamics of Mg + + H 2 O + He: Capture, Collisional Stabilization and Collision-Induced Dissociation

Martínez-Núñez, Emilio, Whalley, Charlotte L., Shalashilin, Dmitry, Plane, John M. C.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.10 MB

english, 2010

43

Acceleration of Classical Mechanics by Phase Space Constraints

Martínez-Núñez, Emilio, Shalashilin, Dmitrii V.

Journal:

Journal of Chemical Theory and Computation

Year:

2006

Language:

english

File:

PDF, 144 KB

english, 2006

44

Unraveling the Factors That Control Soft Landing of Small Silyl Ions on Fluorinated Self-Assembled Monolayers

Nogueira, Juan José, Wang, Yang, Martín, Fernando, Alcamí, Manuel, Glowacki, David R., Shalashilin, Dmitrii V., Paci, Emanuele, Fernández-Ramos, Antonio, Hase, William L., Martínez-Núñez, Emilio, Vázq

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.11 MB

english, 2014

45

Monte Carlo Variational Transition-State Theory Study of the Unimolecular Dissociation of RDX

Shalashilin, Dmitrii V., Thompson, Donald L.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 274 KB

english, 1997

46

Eley–Rideal and hot-atom dynamics of HD formation by H(D) incident from the gas phase on D(H)-covered Cu(111)

Shalashilin, Dmitrii V., Jackson, Bret, Persson, Mats

Journal:

Faraday Discussions

Year:

1998

Language:

english

File:

PDF, 165 KB

english, 1998

47

Multiconfigurational Ehrenfest approach to quantum coherent dynamics in large molecular systems

Shalashilin, Dmitrii V.

Journal:

Faraday Discussions

Year:

2011

Language:

english

File:

PDF, 202 KB

english, 2011

48

Quantum initial value representation simulation of water trimer far infrared absorption spectrum

Shalashilin, D. V., Child, M. S., Clary, D. C.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 353 KB

english, 2004

49

Electronic energy levels with the help of trajectory-guided random grid of coupled wave packets. I. Six-dimensional simulation of H[sub 2]

Shalashilin, Dmitrii V., Child, Mark S.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 315 KB

english, 2005

50

Predicting nonstatistical unimolecular reaction rates using Kramers’ theory

Guo, Yin, Shalashilin, Dmitrii V., Krouse, Justin A., Thompson, Donald L.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 370 KB

english, 1999

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