| Career | |
| 2010 - present: | Senior researcher in the Radiation Chemistry Laboratory
Chemistry Department, Moscow State University, RUSSIA |
| 2008 - 2010 : | “Researcher”
Scientific Research Computer Center, Moscow State University, RUSSIA |
| 2007 : | “Postdoctoral researcher” under Prof. Spiridoula Matsika
Chemistry Department, Temple University, UNITED STATES |
| 2004 - 2006 : | “Postdoctoral researcher” under Prof. Per Siegbahn
Physics Department, Stockholm University, SWEDEN |
| 2000 - 2004 : | “Postdoctoral researcher” under Prof. Hans-Jürgen Hansen
Organic Chemistry Institute, University of Zürich, SWITZERLAND |
| 1998 - 1999 : | “Visiting (DAAD) researcher” under Prof. Karl Jug
Theoretical Chemistry Department, University of Hannover, GERMANY |
| Education | |
| 1997 - 2000 : | “PhD student” under Prof. Yuri Ustynyuk
Chemistry Department, Moscow State University, RUSSIA |
| 1992 - 1997 : | “Diploma student” under Dr. Viktor Mamaev
Chemistry Department, Moscow State University, RUSSIA |
| 45. |
Optimization of atomic density-fitting basis functions for molecular two-electron integral approximations
D. N. Laikov The Journal of Chemical Physics, 153, 114121 (2020) doi: 10.1063/5.0014639 |
| 44. |
Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution
A. S. Oshchepkov, S. S. R. Namashivaya, V. N. Khrustalev, F. Hampel, D. N. Laikov, E. A. Kataev The Journal of Organic Chemistry, 85, 9255 (2020) doi: 10.1021/acs.joc.0c01260 |
| 43. |
Heptalene Synthesis by Addition of Aryl Acetylenes to Azulenes
K. R. Briling, D. N. Laikov Russian Journal of Organic Chemistry, 56, 569 (2020) doi: 10.1134/S1070428020040028 |
| 42. |
Synthesis and biological activity of 5-aryliden-2-thiohydantoin S-aryl derivatives
A. V. Finko, D. A. Skvortsov, D. N. Laikov, G. M. Averochkin, E. A. Dlin, M. A. Kalinina, V. A. Aladinskiy, N. S. Vorobyeva, A. V. Mironov, E. K. Beloglazkina, N. V. Zyk, Y. A. Ivanenkov, A. G. Majouga Bioorganic Chemistry, 100, 103900 (2020) doi: 10.1016/j.bioorg.2020.103900 |
| 41. |
Ullmann-type C–Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity
O. Vyhivskyi, D. N. Laikov, A. V. Finko, D. A. Skvortsov, I. V. Zhirkina, V. A. Tafeenko, N. V. Zyk, A. G. Majouga, E. K. Beloglazkina The Journal of Organic Chemistry, 85, 3160-3173 (2020) doi: 10.1021/acs.joc.9b03045 |
| 40. |
Atomic effective potentials for starting molecular electronic structure calculations
D. N. Laikov, K. R. Briling Theoretical Chemistry Accounts, 139, 17 (2020) doi: 10.1007/s00214-019-2521-3 |
| 39. |
Simple exchange hole models for long-range-corrected density functionals
D. N. Laikov The Journal of Chemical Physics, 151, 094106 (2019) doi: 10.1063/1.5110633 |
| 38. |
Atomic basis functions for molecular electronic structure calculations
D. N. Laikov Theoretical Chemistry Accounts, 138, 40 (2019) doi: 10.1007/s00214-019-2432-3 |
| 37. |
Additive atomic approximation for relativistic effects:
A two-component Hamiltonian for molecular electronic structure calculations
D. N. Laikov The Journal of Chemical Physics, 150, 061103 (2019) doi: 10.1063/1.5082231 |
| 36. |
A reversible numerical integrator of the isokinetic equations of motion
D. N. Laikov Theoretical Chemistry Accounts, 137, 140 (2018) doi: 10.1007/s00214-018-2344-7 arXiv:1709.05636 |
| 35. |
IR-spectroscopic manifestation of the diacetyl radical anion produced by irradiation of diacetyl in a dimethyl ether matrix at 7 K
E. V. Saenko, D. N. Laikov, V. I. Feldman Mendeleev Communications, 25, 267–268 (2015) doi: 10.1016/j.mencom.2015.07.011 |
| 34. |
Penrose nanotiles: design of the thin and thick rhomb molecules to self-assemble into a quasicrystal
D. N. Laikov RSC Advances, 4, 17925-17930 (2014) doi: 10.1039/c4ra01354a |
| 33. |
Reactions of excess electrons with “bridged” amidoesters in low-temperature matrices
E. V. Saenko, D. N. Laikov, V. I. Feldman Radiation Physics and Chemistry, 85, 147 (2013) doi: 10.1016/j.radphyschem.2012.12.003 |
| 32. |
Stabilization of radical anions with weakly bound electron in condensed media: a case study of diacetonyl radical anion
E. V. Saenko, D. N. Laikov, I. A. Baranova, V. I. Feldman The Journal of Chemical Physics, 135, 101103 (2011) doi: 10.1063/1.3638690 |
| 31. |
A new parametrizable model of molecular electronic structure
D. N. Laikov The Journal of Chemical Physics, 135, 134120 (2011) doi: 10.1063/1.3646498 arXiv:1106.4793v2 |
| 30. |
Intrinsic minimal atomic basis representation of molecular electronic wavefunctions
D. N. Laikov International Journal of Quantum Chemistry, 111, 2851-2867 (2011) doi: 10.1002/qua.22767 |
| 29. |
Inclusion of second-order correlation effects
for the ground and singly-excited states suitable for the study
of conical intersections: the CIS(2) model
D. Laikov, S. Matsika Chemical Physics Letters, 448, 132-137 (2007) doi: 10.1016/j.cplett.2007.09.051 |
| 28. |
High resolution EPR spectroscopy of C60F and C70F
in solid argon. Reassignment of C70F regioisomers
E. Ya. Misochko, A. V. Akimov, V. A. Belov, D. A. Tyurin, D. N. Laikov The Journal of Chemical Physics, 127, 084301 (2007) doi: 10.1063/1.2768350 |
| 27. |
High selectivity of fluorine atom addition to the asymmetric chemical bonds
of C70 fullerene
E. Ya. Misochko, A. V. Akimov, V. A. Belov, D. A. Tyurin, D. N. Laikov Mendeleev Communications, 17, 274-276 (2007) doi: 10.1016/j.mencom.2007.09.008 |
| 26. |
Neglect of four- and approximation of one-, two-, and three-center
two-electron integrals in a symmetrically orthogonalized basis
D. N. Laikov Journal of Computational Chemistry, 28, 698-702 (2007) doi: 10.1002/jcc.20485 |
| 25. |
A new class of atomic basis functions for accurate electronic structure
calculations of molecules
D. N. Laikov Chemical Physics Letters, 416, 116-120 (2005) doi: 10.1016/j.cplett.2005.09.046 |
| 24. |
PRIRODA-04: a quantum-chemical program suite. New possibilities
in the study of molecular systems with the application of parallel computing
D. N. Laikov, Yu. A. Ustynyuk Russian Chemical Bulletin, 54, 820-826 (2005) doi: 10.1007/s11172-005-0329-x |
| 23. |
High-resolution electron spin resonance spectroscopy of XeF
in solid argon. The hyperfine structure constants as a probe of relativistic
effects in the chemical bonding properties of a heavy noble gas atom
E. Ya. Misochko, A. V. Akimov, I. U. Goldschleger, D. A. Tyurin, D. N. Laikov The Journal of Chemical Physics 122, 034503 (2005) doi: 10.1063/1.1829058 |
| 22. |
An unusual domino retro-ene-conia reaction: regio-
and stereoselective one-carbon ring expansion of fenchol derivatives
G. Rüedi, D. N. Laikov, H.-J. Hansen Helvetica Chimica Acta 87, 1990-2021 (2004) doi: 10.1002/chin.200501160 |
| 21. |
Excited state geometries within time-dependent and
restricted open-shell density functional theories
M. Odelius, D. Laikov, J. Hutter THEOCHEM 630, 163-175 (2003) doi: 10.1016/S0166-1280(03)00152-0 |
| 20. |
Quantitative 2H NMR spectroscopy: 1. Thermodynamic H/D isotope effects
in N,N-dimethylformamide and cyclopentadiene molecules
V. A. Roznyatovsky, S. M. Gerdov, Yu. K. Grishin, D. N. Laikov, Yu. A. Ustynyuk Russian Chemical Bulletin 52, 552-556 (2003) doi: 10.1023/A:1023930000465 |
| 19. |
Gaussian-type quadrature formulas of orders 107, 113, 119, and 125
for the sphere
V. I. Lebedev, D. N. Laikov Cubature Formulas and Their Application (Ufa, 2002), 82-93 [in Russian] |
| 18. |
Cationic (azulene)(diene)rhodium(I) complexes:
Spectroscopic, dynamic, and catalytic properties
A. J. Rippert, D. N. Laikov, H.-J. Hansen Helvetica Chimica Acta 85, 2469-2480 (2002) doi: 10.1002/1522-2675(200208)85:8<2469::AID-HLCA2469>3.0.CO;2-D |
| 17. |
DFT study of the mechanism of alkane hydrogenolysis
by transition metal hydrides 1. Interaction of silica-supported
zirconium hydrides with methane
L. Yu. Ustynyuk, Yu. A. Ustynyuk, D. N. Laikov, V. V. Lunin Russian Chemical Bulletin 50, 2050-2053 (2001) doi: 10.1023/A:1015076629218 |
| 16. |
A DFT study of ethylene polymerization by zirconocene-boron catalytic systems
I. E. Nifant'ev, L. Yu. Ustynyuk, D. N. Laikov in: R. Blom (Ed.), Organometallic Catalysts and Olefin Polymerization (2001), 72-85, Springer-Verlag, Berlin, Germany doi: 10.1007/978-3-642-59465-6_7 |
| 15. |
DFT study of ethylene polymerization by zirconocene-boron catalytic systems.
Effect of counterion on the kinetics and mechanism of the process
I. E. Nifant'ev, L. Yu. Ustynyuk, D. N. Laikov Organometallics 20, 5375-5393 (2001) doi: 10.1021/om010067a |
| 14. |
Activation of C-H bonds in C1-C3 alkanes by titanium(IV) and zirconium(IV)
cationic complexes: a DFT study
L. Yu. Ustynyuk, Yu. A. Ustynyuk, D. N. Laikov, V. V. Lunin Russian Chemical Bulletin 50, 376-380 (2001) doi: 10.1023/A:1011332401298 |
| 13. |
Heteroorganic betaines 6. Structure and reactivity of silicon-containing
organophosphorus betaines with the -S-Si-C-P+ fragment:
a DFT study
Yu. A. Ustynyuk, M. S. Nechaev, D. N. Laikov, N. N. Zemlyanskii, I. V. Borisova, E. A. Chernyshev Russian Chemical Bulletin 50, 771-779 (2001) doi: 10.1023/A:1011330303465 |
| 12. |
An implementation of the scalar relativistic density functional theory
for molecular calculations with Gaussian basis sets
D. N. Laikov DFT2000 - Satellite Symp. 10th Intern. Cong. Quantum Chem., Menton, June 11-14 (2000) picture! ;) PDF |
| 11. |
A DFT study of ethylene polymerization by zirconocene catalysts.
1. Model system [Cp2ZrEt]+ + C2H4
I. E. Nifant'ev, L. Yu. Ustynyuk, D. N. Laikov Russian Chemical Bulletin 49, 1164-1173 (2000) doi: 10.1007/BF02495756 |
| 10. |
Activation of CH4 and H2 by zirconium(IV) and titanium(IV)
cationic complexes. Theoretical DFT study
Yu. A. Ustynyuk, L. Yu. Ustynyuk, D. N. Laikov, V. V. Lunin Journal of Organometallic Chemistry 597, 182-189 (2000) doi: 10.1016/S0022-328X(99)00686-5 |
| 9. |
Density functional study of ethylene polymerization on zirconocene catalysts
2. Substituted zirconocene catalysts
I. E. Nifant'ev, L. Yu. Ustynyuk, D. N. Laikov Russian Chemical Bulletin 49, 1735-1741 (2000) doi: 10.1007/BF02496344 |
| 8. |
Heteroorganic betaines 5. A DFT study of the structure and reactivity of
6,6-dimethyl-6-silafulvene and silicon-containing organophosphorus betaine
-C5H4SiMe2CH2PMe3+
M. S. Nechaev, I. V. Borisova, N. N. Zemlyanskii, D. N. Laikov, Yu. A. Ustynyuk Russian Chemical Bulletin 49, 1823-1830 (2000) doi: 10.1007/BF02494917 |
| 7. |
Gaussian-type cubature formulas of orders 65, 71, 77, 83, 89, 95, and 101 for the sphere
V. I. Lebedev, D. N. Laikov Cubature Formulas and Their Applications (Krasnoyarsk, 2000), 106-118 [in Russian] |
| 6. |
Quadrature formula for the sphere of 131st algebraic order of accuracy
V. I. Lebedev, D. N. Laikov Doklady Akademii Nauk 366, 741-745 (1999) PDF (preprint) numerical data |
| 5. |
Regioselective synthesis of π-complexes of substituted polycyclic
aromatic compounds. Experimental (NMR) and theoretical (DFT) studies
of η6,η6-haptotropic rearrangements
in naphthalene chromium tricarbonyl complexes
Yu. F. Oprunenko, N. G. Akhmedov, D. N. Laikov, S. G. Malyugina, V. I. Mstislavsky, V. A. Roznyatovsky, Yu. A. Ustynyuk, N. A. Ustynyuk Journal of Organometallic Chemistry 583, 136-145 (1999) doi: 10.1016/S0022-328X(99)00123-0 |
| 4. |
Activation of CH4 and H2 molecules by cationic zirconium(IV) complexes: a DFT study
L. Yu. Ustynyuk, Yu. A. Ustynyuk, D. N. Laikov, V. V. Lunin Russian Chemical Bulletin 48, 2222-2228 (1999) doi: 10.1007/BF02498263 |
| 3. |
The mechanism of a diad prototropic rearrangement of hydrophosphorylic compounds
V. M. Mamaev, A. V. Prisyajnuk, D. N. Laikov, L. S. Logutenko, Yu. V. Babin Mendeleev Communications 6, 240-241 (1999) doi: 10.1070/MC1999v009n06ABEH001095 |
| 2. |
Ricochet inter-ring haptotropic rearrangement of σ-methyl-(η5-indenyl) chromium tricarbonyls.
Experimental kinetic and theoretical DFT study
O. I. Trifonova, E. A. Ochertyanova, N. G. Akhmedov, V. A. Roznyatovsky, D. N. Laikov, N. A. Ustynyuk, Yu. A. Ustynyuk Inorganica Chimica Acta 280, 328-338 (1998) doi: 10.1016/S0020-1693(98)00258-8 |
| 1. |
Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets
D. N. Laikov Chemical Physics Letters 281, 151-156 (1997) doi: 10.1016/S0009-2614(97)01206-2 |