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The Journal of Chemical Physics
|
July 8, 2008
Atomic approximation to the projection on electronic states in the Douglas-Kroll-Hess approach to the relativistic Kohn-Sham method
Alexei V Matveev, Notker Rösch
The Journal of Chemical Physics
|
November 5, 2005
Efficient treatment of the Hartree interaction in the relativistic Kohn-Sham problem
Alexei V Matveev, Sonjoy Majumder, Notker Rösch
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 7, 2005
The heat of formation of the uranyl dication: theoretical evaluation based on relativistic density functional calculations
Lyudmila V Moskaleva, Alexei V Matveev, Sven Krüger, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Efficient Two-Step Procedures for Locating Transition States of Surface Reactions
Astrid Nikodem, Alexei V Matveev, Bo-Xiao Zheng, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 10, 2006
The heat of formation of gaseous PuO(2)2+ from relativistic density functional calculations
Lyudmila V Moskaleva, Alexei V Matveev, Joachim Dengler, et al.
Journal of the American Chemical Society
|
June 26, 2008
How the C-O bond breaks during methanol decomposition on nanocrystallites of palladium catalysts
Ilya V Yudanov, Alexei V Matveev, Konstantin M Neyman, et al.
The Journal of Physical Chemistry. A
|
May 5, 2007
Optical spectra of Cu, Ag, and Au monomers and dimers at regular sites and oxygen vacancies of the MgO(001) surface. A systematic time-dependent density functional study using embedded cluster models
Sergey I Bosko, Lyudmila V Moskaleva, Alexei V Matveev, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Improving Upon String Methods for Transition State Discovery
Hugh Chaffey-Millar, Astrid Nikodem, Alexei V Matveev, et al.
Journal of the American Chemical Society
|
August 18, 2005
Single d-metal atoms on F(s) and F(s+) defects of MgO(001): a theoretical study across the periodic table
Konstantin M Neyman, Chan Inntam, Alexei V Matveev, et al.
Page
of 1
Search research articles
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Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 8, 2008
Atomic approximation to the projection on electronic states in the Douglas-Kroll-Hess approach to the relativistic Kohn-Sham method
Alexei V Matveev, Notker Rösch
The Journal of Chemical Physics
|
November 5, 2005
Efficient treatment of the Hartree interaction in the relativistic Kohn-Sham problem
Alexei V Matveev, Sonjoy Majumder, Notker Rösch
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 7, 2005
The heat of formation of the uranyl dication: theoretical evaluation based on relativistic density functional calculations
Lyudmila V Moskaleva, Alexei V Matveev, Sven Krüger, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Efficient Two-Step Procedures for Locating Transition States of Surface Reactions
Astrid Nikodem, Alexei V Matveev, Bo-Xiao Zheng, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 10, 2006
The heat of formation of gaseous PuO(2)2+ from relativistic density functional calculations
Lyudmila V Moskaleva, Alexei V Matveev, Joachim Dengler, et al.
Journal of the American Chemical Society
|
June 26, 2008
How the C-O bond breaks during methanol decomposition on nanocrystallites of palladium catalysts
Ilya V Yudanov, Alexei V Matveev, Konstantin M Neyman, et al.
The Journal of Physical Chemistry. A
|
May 5, 2007
Optical spectra of Cu, Ag, and Au monomers and dimers at regular sites and oxygen vacancies of the MgO(001) surface. A systematic time-dependent density functional study using embedded cluster models
Sergey I Bosko, Lyudmila V Moskaleva, Alexei V Matveev, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Improving Upon String Methods for Transition State Discovery
Hugh Chaffey-Millar, Astrid Nikodem, Alexei V Matveev, et al.
Journal of the American Chemical Society
|
August 18, 2005
Single d-metal atoms on F(s) and F(s+) defects of MgO(001): a theoretical study across the periodic table
Konstantin M Neyman, Chan Inntam, Alexei V Matveev, et al.
Page
of 1