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

doi:10.1007/bf00753975

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

Journal of Structural Chemistry ◽

10.1007/bf00753975 ◽

1977 ◽

Vol 18 (2) ◽

pp. 272-297

Author(s):

N. M. Klimenko ◽

A. S. Zyubin ◽

O. P. Charkin

Keyword(s):

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical ◽

Molecular Properties ◽

Zero Differential

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Quantum-chemical calculations of electronic structures and molecular properties within the framework of approximate schemes of zero differential overlap. II. Results of specific calculations of molecular properties within the framework of semiempirical ZDO schemes

Journal of Structural Chemistry ◽

10.1007/bf00746776 ◽

1980 ◽

Vol 20 (5) ◽

pp. 760-782 ◽

Cited By ~ 2

Author(s):

N. M. Klimenko ◽

A. S. Zyubin ◽

O. P. Charkin

Keyword(s):

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical ◽

Molecular Properties ◽

Zero Differential ◽

Specific Calculations

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Molecular and electronic structures of the NbC2−/0 clusters through the assignment of the anion photoelectron spectra by quantum chemical calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2014.06.046 ◽

2014 ◽

Vol 609 ◽

pp. 98-103 ◽

Cited By ~ 7

Author(s):

Van Tan Tran ◽

Marc F.A. Hendrickx

Keyword(s):

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical ◽

Photoelectron Spectra

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Geometries, electronic structures and vibrational spectral studies of 4-aminophthalonitrile using quantum chemical calculations for dye sensitized solar cells

Indian Journal of Physics ◽

10.1007/s12648-011-0167-7 ◽

2011 ◽

Vol 85 (10) ◽

pp. 1477-1494 ◽

Cited By ~ 10

Author(s):

P. M. Anbarasan ◽

P. Senthil Kumar ◽

K. Vasudevan ◽

R. Govindan ◽

V. Aroulmoji

Keyword(s):

Solar Cells ◽

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical ◽

Dye Sensitized Solar Cells ◽

Spectral Studies ◽

Dye Sensitized ◽

Sensitized Solar Cells

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ChemInform Abstract: Electronic Structure and Conformational Properties of the Amide Linkage. Part 9. Geometrical and Electronic Structures of N- Alkenyllactams as Determined by PE Spectroscopy and Semiempirical Quantum Chemical Calculations.

ChemInform ◽

10.1002/chin.199216038 ◽

2010 ◽

Vol 23 (16) ◽

pp. no-no

Author(s):

M. WOYDT ◽

P. RADEMACHER

Keyword(s):

Electronic Structure ◽

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical ◽

Amide Linkage ◽

Conformational Properties ◽

Semiempirical Quantum Chemical Calculations

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Quantum chemical calculations of molecular properties of V2O5 clusters

Journal of Molecular Catalysis ◽

10.1016/0304-5102(91)80014-t ◽

1991 ◽

Vol 66 (2) ◽

pp. 205-214 ◽

Cited By ~ 34

Author(s):

M. Witko ◽

R. Tokarz ◽

J. Haber

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Molecular Properties

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Electronic structures of heterometallic complexes [Ru(NO)(NO2)4(OH)ZnL n ] according to the data of quantum-chemical calculations and photoelectron spectroscopy

Russian Journal of Coordination Chemistry ◽

10.1134/s107032841207007x ◽

2012 ◽

Vol 38 (8) ◽

pp. 535-544 ◽

Cited By ~ 2

Author(s):

G. A. Kostin ◽

A. O. Borodin ◽

N. A. Kryuchkova ◽

N. V. Kurat’eva ◽

A. I. Boronin ◽

...

Keyword(s):

Quantum Chemical Calculations ◽

Photoelectron Spectroscopy ◽

Electronic Structures ◽

Quantum Chemical ◽

Heterometallic Complexes

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Quantum-chemical calculations of the electronic structures of polymethylidyne dyes

Chemistry of Heterocyclic Compounds ◽

10.1007/bf00673334 ◽

1978 ◽

Vol 14 (5) ◽

pp. 511-517

Author(s):

P. I. Abramenko ◽

V. A. Kosobutskii

Keyword(s):

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical

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Geometric and Electronic Structures of VB40/+ Clusters and Reactivity of the Cationic Cluster with Methane from Quantum Chemical Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b08536 ◽

2019 ◽

Vol 123 (42) ◽

pp. 9223-9233 ◽

Cited By ~ 2

Author(s):

Van Tan Tran ◽

Quoc Tri Tran

Keyword(s):

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical

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Geometric and Electronic Structures for MnS2–/0 Clusters by Interpreting the Anion Photoelectron Spectrum with Quantum Chemical Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b02896 ◽

2015 ◽

Vol 119 (22) ◽

pp. 5626-5633 ◽

Cited By ~ 2

Author(s):

Van Tan Tran ◽

Quoc Tri Tran ◽

Marc F. A. Hendrickx

Keyword(s):

Quantum Chemical Calculations ◽

Electronic Structures ◽

Quantum Chemical ◽

Photoelectron Spectrum

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Tight-Binding Quantum Chemical Calculations of Electronic Structures of Indium Tin Oxide

Japanese Journal of Applied Physics ◽

10.1143/jjap.44.2806 ◽

2005 ◽

Vol 44 (4B) ◽

pp. 2806-2809 ◽

Cited By ~ 9

Author(s):

Chen Lv ◽

Xiaojing Wang ◽

Agalya Govindasamy ◽

Hideyuki Tsuboi ◽

Michihisa Koyama ◽

...

Keyword(s):

Quantum Chemical Calculations ◽

Tin Oxide ◽

Indium Tin Oxide ◽

Electronic Structures ◽

Quantum Chemical ◽

Tight Binding

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