O. P. Charkin,N. M. Klimenko: search on Z-Library

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1

The nature of the chemical bond and the properties of compounds of the halogens and inert gases from the results of MO LCAO SCF calculations

O. P. Charkin, A. E. Smolyar, N. M. Klimenko

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 2.98 MB

english, 1978

2

Theoretical Study of Isomers of Doped Clusters L2Al42 with Transition Metal Dopants L Inside and on the Surface of the Aluminum Cage

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2019

File:

PDF, 1.71 MB

2019

3

Theoretical Study of Isomers of Doped Clusters L2Al42 with Transition Metal Dopants L Inside and on the Surface of the Aluminum Cage

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2019

Language:

english

File:

PDF, 1.71 MB

english, 2019

4

Theoretical Study of Isomers of Doped Clusters M2Al42 with Light Element Dopants M inside and on the Surface of the Aluminum Cage

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 4.27 MB

english, 2018

5

A program for the solution of the Hartree-Fock-Roothaan equations for systems with open and closed shells by Roothaan's method using the versions with a combined Hamiltonian and with separate Hamiltonians

K. V. Bozhenko, N. M. Klimenko, O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1976

Language:

english

File:

PDF, 207 KB

english, 1976

6

Theoretical study of isomerism of compounds of CO and CO2molecules with aluminum clusters Al13, Al12Ti, and Al12Ni

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 1010 KB

english, 2014

7

Theoretical study of isomerism of compounds of CN, HCN, and CH2NH molecules with a Ti-doped aluminum cluster

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.80 MB

english, 2015

8

Theoretical study of the structure and stability of oxovanadate complexes with MO4n−tetraoxo anions in the inner and outer spheres of the V20O50cluster

O. P. Charkin,N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 1.26 MB

english, 2017

9

Theoretical and Experimental Studies of Subnanoscale Molecules and Clusters

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2020

File:

PDF, 2.35 MB

2020

10

Localized molecular orbitals and the nature of the bonding in the compounds of halogen fluorides and the inert gases

V. G. Zakzhevskii, O. P. Charkin, A. E. Smolyar, T. S. Zyubina, N. M. Klimenko

Journal:

Journal of Structural Chemistry

Year:

1976

Language:

english

File:

PDF, 942 KB

english, 1976

11

Theoretical study of isomerism of the carbon-substituted aluminum cluster C6Al38

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.95 MB

english, 2015

12

Theoretical study of isomerism in nitrogen- and phosphorus-substituted aluminum clusters M6Al38and M12Al32(M = N, P)

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 2.23 MB

english, 2016

13

Theoretical modeling of dissociative addition of an H2molecule to doped aluminum clusters FeAl12and CoAl12

Mikhailin, A. A., Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 1021 KB

english, 2016

14

ChemInform Abstract: Ab initio Study of Structurally Nonrigid MPX6 Salt Molecules and MSX6+ Ion—Molecular Complexes (M: Li, Na; X: F, H).

O. P. Charkin, M. L. McKee, N. M. Klimenko, Paul von Rague Schleyer

Journal:

Year:

1999

File:

PDF, 28 KB

1999

15

Theoretical study of the structure and stability of the ferriporphyrin dimer (Fe(III)C34H31N4O4)2

O. P. Charkin, N. M. Klimenko, D. O. Charkin, Y. -S. Wang, S. -C. Wei, H. -C. Chang, S. H. Lin

Journal:

Russian Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 221 KB

english, 2006

16

Theoretical study of host-guest interaction and its manifestations in the properties of model endohedral fullerenes with small covalent molecules inside the Cnand CnHmcages

O. P. Charkin, N. M. Klimenko, D. O. Charkin, A. M. Mebel, S. H. Lin

Journal:

Russian Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 446 KB

english, 2006

17

Theoretical study of the model reaction of oxidation of methane to methyl alcohol by Fe(P)O(NH2) and related oxoferryl porphyrin complexes (P = C20H12N4)

O. P. Charkin, A. V. Makarov, N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 325 KB

english, 2009

18

Theoretical study of stepwise hydrogenatedcloso-alane clusters Al13Hm−(m= 1–12)

O. P. Charkin, N. M. Klimenko, D. O. Charkin

Journal:

Russian Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 380 KB

english, 2006

19

DFT modeling of succesive hydrogenation of subnano-size aluminum clusters

Charkin, O.P., Klimenko, N.M., Charkin, D.O.

Journal:

Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.95 MB

english, 2019

20

Theoretical study of isomerism, structure, and stability of dimers of C-doped aluminide clusters (C@Al12)2and (C@Al12)(L@Al12) (L = Si, Ge)

O. P. Charkin, N. M. Klimenko, D. O. Charkin, A. M. Mebel

Journal:

Russian Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 313 KB

english, 2006

21

Theoretical study of the energies and activation barriers of elementary reactions of hydrogenation of the Ti-dopedcloso-aluminide cluster Al@TiAl11and its anion Al@TiAl11−

O. P. Charkin, V. K. Kochnev, N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 367 KB

english, 2009

22

Theoretical study of isomerism in protonated forms of N2O, NPO, and P2O

G. M. Chaban, N. M. Klimenko, O. P. Charkin

Journal:

Russian Chemical Bulletin

Year:

1992

Language:

english

File:

PDF, 978 KB

english, 1992

23

Determination of the orbital populations and effective atomic charges in series of diatomic molecules

O. P. Charkin, A. S. Zyubin, P. G. Bodashko, N. M. Klimenko

Journal:

Journal of Structural Chemistry

Year:

1973

Language:

english

File:

PDF, 284 KB

english, 1973

24

A version of the "frozen core AO" approximation in nonempirical calculations of molecules by Roothaan's MO LCAO SCF method

M. A. Ryabov, N. M. Klimenko, O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1975

Language:

english

File:

PDF, 293 KB

english, 1975

25

Theoretical study of the activation barriers of elementary reactions of hydrogenation of aluminide clusters X@Al12and X@Al12−with dopants X = Al, Si, and Ge

V. K. Kochnev, O. P. Charkin, N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 717 KB

english, 2009

26

Theoretical study of elementary reactions of dehydrogenation of magnesium, calcium, zinc, and beryllium amminoborate and amminoalanate complexes

A. A. Mikhailin, D. O. Charkin, N. M. Klimenko…

Journal:

Russian Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 534 KB

english, 2013

27

Theoretical modeling of elementary reactions of dissociative addition of an H2molecule to aluminum clusters MAl12doped with early 3dand 4dtransition metal atoms

Charkin, O. P., Mikhailin, A. A., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 616 KB

english, 2013

28

Theoretical study of V20O50 oxovanadate cluster compounds with alkali metal atoms

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 1.74 MB

english, 2017

29

ChemInform Abstract: Theoretical Study of Icosahedral closo-Borane, -Alane, and -Gallane Dianions (A12H122-; A: B, Al, Ga) with Endohedral Noble Gas Atoms (Ng: He, Ne, Ar, and Kr) and Their Lithium Salts (Li[Ng@A12H12]- and Li2[Ng@A12H12]).

O. P. Charkin, N. M. Klimenko, D. Moran, A. M. Mebel, D. O. Charkin, P. von Rague Schleyer

Journal:

Year:

2002

File:

PDF, 33 KB

2002

30

Koopman's theorem and allowance for the relaxation of MO's in ab initi calculations of polyhalogenides

A. E. Smolyar, A. I. Boldyrev, O. P. Charkin, N. M. Klimenko, V. I. Avdeev

Journal:

Journal of Structural Chemistry

Year:

1976

Language:

english

File:

PDF, 490 KB

english, 1976

31

Theoretical study of the isomerism of stepwise-hydrogenated b-doped aluminum clusters BAl12H−2n(n= 1-6) with the [B@Al12]t-framework

O. P. Charkin, N. M. Klimenko, D. O. Charkin

Journal:

Russian Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 374 KB

english, 2006

32

A theoretical study of isomerism in doped aluminum MAl12 and MAl12X12 clusters with 40 and 50 valence electronsElectronic supplementary information (ESI) available: Selected geometric parameters of clusters. See http://www.rsc.org/suppdata/fd/b2/b211114d/

Charkin, Oleg P., Charkin, Dmitry O., Klimenko, Nina M., Mebel, Alexander M.

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 907 KB

english, 2003

33

Program for the graphical construction of the total and difference electron density distribution maps for molecules by means of wave functions calculated by the MO LCAO method

T. S. Zyubina, N. M. Klimenko, G. I. Pasechnik, A. S. Zyubin, O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1976

Language:

english

File:

PDF, 68 KB

english, 1976

34

Quantum-chemical calculations of electronic structures and molecular properties within the framework of approximate schemes of zero differential overlap

N. M. Klimenko, A. S. Zyubin, O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1977

Language:

english

File:

PDF, 2.42 MB

english, 1977

35

Theoretical DFT Study of Fragmentation and Association of Heme and Hemin †

Charkin, O. P., Klimenko, N. M., Charkin, D. O., Chang, H.-C., Lin, S.-H.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 467 KB

english, 2007

36

Effect of approximation upon the accuracy of the calculation of dipole moments of small molecules using Roothaan's nonempirical SCF MO lCAO method

O. P. Charkin, N. M. Klimenko, A. S. Zyubin, M. E. Dyatkina

Journal:

Journal of Structural Chemistry

Year:

1972

Language:

english

File:

PDF, 202 KB

english, 1972

37

Theoretical Study of the Structure and Stability of Layerwise Hydrogenated Aluminum Clusters Al44Hn and Al89Hm

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2019

Language:

english

File:

PDF, 3.51 MB

english, 2019

38

Calculations of electronic structure for compounds of halogens and inert gases by the nonempirical method

A. E. Stolyar, O. P. Charkin, N. M. Klimenko

Journal:

Journal of Structural Chemistry

Year:

1974

Language:

english

File:

PDF, 746 KB

english, 1974

39

Ab initio calculations of the structure and stability of the LiBe2H5 complex molecule

Yu.B. Kirillov, A.I. Boldyrev, N.M. Klimenko, O.P. Charkin

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 483 KB

english, 1981

40

Theoretical study of 3d-metal porphyrin π-complexes acetylene

A. V. Makarov, O. P. Charkin, N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 354 KB

english, 2011

41

Theoretical study of C60(OH)20and C60(OH)18fullerenols and B12(OH)122−, Si20O30(OH)20, and Ti20O30(OH)20polyhydroxyl clusters and their Li-substituted derivatives

O. P. Charkin, N. M. Klimenko, Y. -S. Wang

Journal:

Russian Journal of Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 718 KB

english, 2012

42

Theoretical study of complexes of Ti-doped aluminide cluster Al@Al11Ti with ligands L containing multiple bonds

V. K. Kochnev, O. P. Charkin, N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 411 KB

english, 2013

43

Concerning the critical domains of the values of the parameter β in zero differential overlap calculations of the geometry of MXkmolecules

N. M. Klimenko, A. S. Zyubin, O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1974

Language:

english

File:

PDF, 367 KB

english, 1974

44

Theoretical study of stepwise chlorinated aluminide clusters Al13Cln−(n= 1–9)

V. K. Kochnev, O. P. Charkin, N. M. Klimenko

Journal:

Russian Journal of Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 492 KB

english, 2008

45

Theoretical study of isomerism of compounds of C-doped aluminum clusters Al13C2, TiAl12C2, and Al42C2

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.83 MB

english, 2015

46

Fragmentation of heme and hemin+ with sequential loss of carboxymethyl groups: A DFT and mass-spectrometry study

O.P. Charkin, N.M. Klimenko, P.T. Nguyen, D.O. Charkin, A.M. Mebel, S.H. Lin, Y.-S. Wang, S.-C. Wei, H.-C. Chang

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 315 KB

english, 2005

47

Theoretical Study of Icosahedral closo -Borane, -Alane, and -Gallane Dianions (A 12 H 122- ; A = B, Al, Ga) with Endohedral Noble Gas Atoms (Ng = He, Ne, Ar, and Kr) and Their Lithium Salts (Li[Ng@A 12 H 12 ] - and Li 2 [Ng@A 12 H 12 ])

Charkin, O. P., Klimenko, N. M., Moran, D., Mebel, A. M., Charkin, D. O., Schleyer, P. v. R.

Journal:

Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 193 KB

english, 2001

48

Theoretical study of oxoborate complexes with MO 4 n− tetraoxo anions in the inner and outer spheres of the B20O30 cluster

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 2.01 MB

english, 2017

49

A theoretical study of isomerism in doped aluminum XAl12 clusters (X=B, Al, Ga, C, Si, Ge) with 40 valence electrons

O.P Charkin, D.O Charkin, N.M Klimenko, A.M Mebel

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 688 KB

english, 2002

50

Theoretical study of 1D and 2D fused magnesium porphine oligomers

Charkin, O. P., Klimenko, N. M.

Journal:

Russian Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 476 KB

english, 2013

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