Alexei Matveev
Alexei Matveev
Okänd anknytning
Verifierad e-postadress på theochem.tu-muenchen.de
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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
1921999
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
1541999
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
892005
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
882008
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
871999
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
842002
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
802002
PARAGAUSS version 3.0
T Belling, T Grauschopf, S Krüger, F Nörtemann, M Staufer, M Mayer, ...
Technische Universität München, 2004
76*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
482003
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
402004
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
322012
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
322007
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), 244102, 2008
272008
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
272004
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
242003
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
232009
In Relativistic Electronic Structure, Theory—Applications, Schwerdtfeger, P., Ed
N Rösch, A Matveev, VA Nasluzov, KM Neyman, L Moskaleva, S Krüger
Elsevier: Amsterdam 14, 656, 2004
212004
PARAGAUSS, version 2.1
T Belling, T Grauschopf, S Krüger, F Nörtemann, M Staufer, M Mayer, ...
Technische Universitat Munchen, Munich, 2001
212001
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
202006
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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