Dimitri Laikov
dimitri_laikov [at] mail.ru
laikov [at] rad.chem.msu.ru

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” (whipping boy) under Prof. Spiridoula Matsika
Chemistry Department, Temple University, UNITED STATES
2004 - 2006 : “Postdoctoral researcher” (whipping boy) under Prof. Per Siegbahn
Physics Department, Stockholm University, SWEDEN
2000 - 2004 : “Postdoctoral researcher” (whipping boy) under Prof. Hans-Jürgen Hansen
Organic Chemistry Institute, University of Zürich, SWITZERLAND
1998 - 1999 : “Visiting (DAAD) researcher” (whipping boy) under Prof. Karl Jug
Theoretical Chemistry Department, University of Hannover, GERMANY
Education
1997 - 2000 : “PhD student” (whipping boy) under Prof. Yuri Ustynyuk
Chemistry Department, Moscow State University, RUSSIA
1992 - 1997 : “Diploma student” (whipping boy) under Dr. Viktor Mamaev
Chemistry Department, Moscow State University, RUSSIA

Publications
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
PDF (preprint)
numerical data
5. Regioselective synthesis of π-complexes of substituted polycyclic aromatic compounds. Experimental (NMR) and theoretical (DFT) studies of η66-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