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Alexei Matveev
Alexei Matveev
Unknown affiliation
Verified email at theochem.tu-muenchen.de
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Cited by
Cited by
Year
Adsorption of transition metal atoms on oxygen vacancies and regular sites of the MgO (001) surface
AV Matveev, KM Neyman, IV Yudanov, N Rösch
Surface science 426 (1), 123-139, 1999
2001999
Density functional study of small molecules and transition‐metal carbonyls using revised PBE functionals
A Matveev, M Staufer, M Mayer, N Rösch
International journal of quantum chemistry 75 (4‐5), 863-873, 1999
1821999
How the C− O bond breaks during methanol decomposition on nanocrystallites of palladium catalysts
IV Yudanov, AV Matveev, KM Neyman, N Rösch
Journal of the American Chemical Society 130 (29), 9342-9352, 2008
982008
Single d-Metal Atoms on Fs and Fs+ Defects of MgO(001):  A Theoretical Study across the Periodic Table
KM Neyman, C Inntam, AV Matveev, VA Nasluzov, N Rösch
Journal of the American Chemical Society 127 (33), 11652-11660, 2005
932005
Calculation of Electronic g-Tensors Using a Relativistic Density Functional Douglas−Kroll Method
KM Neyman, DI Ganyushin, AV Matveev, VA Nasluzov
The Journal of Physical Chemistry A 106 (19), 5022-5030, 2002
892002
Density functional study of M4 clusters (M= Cu, Ag, Ni, Pd) deposited on the regular MgO (001) surface
AV Matveev, KM Neyman, G Pacchioni, N Rösch
Chemical physics letters 299 (6), 603-612, 1999
891999
Comparative study of relativistic density functional methods applied to actinide species AcO22+ and AcF6 for Ac = U, Np
M García‐Hernández, C Lauterbach, S Krüger, A Matveev, N Rösch
Journal of computational chemistry 23 (8), 834-846, 2002
842002
ParaGauss version 3.0
T Belling, T Grauschopf, S Krüger, F Nörtemann, M Staufer, M Mayer, ...
Technische Universität München, 2004
80*2004
The electron–electron interaction in the Douglas–Kroll–Hess approach to the Dirac–Kohn–Sham problem
A Matveev, N Rösch
The Journal of chemical physics 118 (9), 3997-4012, 2003
502003
Quantum chemistry with the Douglas-Kroll-Hess approach to relativistic density functional theory: Efficient methods for molecules and materials
N Rösch, A Matveev, VA Nasluzov, KM Neyman, L Moskaleva, S Krüger
Theoretical and Computational Chemistry 14, 656-722, 2004
422004
Improving upon string methods for transition state discovery
H Chaffey-Millar, A Nikodem, AV Matveev, S Krüger, N Rösch
Journal of Chemical Theory and Computation 8 (2), 777-786, 2012
362012
Linear response formalism for the Douglas–Kroll–Hess approach to the Dirac–Kohn–Sham problem: First‐and second‐order nuclear displacement derivatives of the energy
AV Matveev, VA Nasluzov, N Rösch
International Journal of Quantum Chemistry 107 (15), 3236-3249, 2007
342007
Efficient symmetry treatment for the nonrelativistic and relativistic molecular Kohn–Sham problem. The symmetry module of the program ParaGauss
AV Matveev, M Mayer, N Rösch
Computer physics communications 160 (2), 91-119, 2004
302004
The DFT+ U method in the linear combination of Gaussian-type orbitals framework: Role of 4f orbitals in the bonding of LuF3
R Ramakrishnan, AV Matveev, N Rösch
Chemical Physics Letters 468 (4-6), 158-161, 2009
282009
Atomic approximation to the projection on electronic states in the Douglas-Kroll-Hess approach to the relativistic Kohn-Sham method
AV Matveev, N Rösch
The Journal of chemical physics 128 (24), 2008
282008
Spin–orbit interaction in the Douglas–Kroll approach to relativistic density functional theory: the screened nuclear potential approximation for molecules
S Majumder, AV Matveev, N Rösch
Chemical physics letters 382 (1-2), 186-193, 2003
262003
Relativistic Electronic Structure Theory–Applications
N Rösch, A Matveev, VA Nasluzov, KM Neyman, L Moskaleva, S Krüger, ...
Theoretical and Computational Chemistry Series 14, 656-722, 2004
212004
The heat of formation of the uranyl dication: Theoretical evaluation based on relativistic density functional calculations
LV Moskaleva, AV Matveev, S Krüger, N Rösch
Chemistry–A European Journal 12 (2), 629-634, 2006
192006
Effects of the self-interaction error in Kohn–Sham calculations: A DFT+ U case study on penta-aqua uranyl (VI)
R Ramakrishnan, AV Matveev, N Rösch
Computational and Theoretical Chemistry 963 (2-3), 337-343, 2011
162011
The heat of formation of gaseous PuO 2 2+ from relativistic density functional calculations
LV Moskaleva, AV Matveev, J Dengler, N Rösch
Physical Chemistry Chemical Physics 8 (32), 3767-3773, 2006
152006
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