NOVEL OXIDATION DEGREE – Zn+3 IN THE MACROCYCLIC COMPOUND WITH TRANS-DI[BENZO]PORPHYRAZINE AND FLUORIDE LIGAND: QUANTUM-CHEMICAL CONSIDERATION

European Chemical Bulletin ◽

10.17628/ecb.2020.9.160-163 ◽

2020 ◽

Vol 9 (7) ◽

pp. 160

Author(s):

O. V. Mikhailov ◽

Denis V Chachkov

Keyword(s):

Quantum Chemical ◽

Macrocyclic Compound ◽

Oxidation Degree

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CuIV Oxidation State Stabilization in the Macrocyclic Compound With Phthalocyanine and Two Fluoro Ligands: DFT Quantum-Chemical Research

European Chemical Bulletin ◽

10.17628/ecb.2020.9.313-316 ◽

2020 ◽

Vol 9 (9) ◽

pp. 313

Author(s):

Denis V Chachkov ◽

Oleg V Mikhailov

Keyword(s):

Oxidation State ◽

Quantum Chemical ◽

Macrocyclic Compound ◽

Chemical Research

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Absolute configuration of natural products through quantum chemical calculation of CD spectra-selected examples

Planta Medica ◽

10.1055/s-0032-1321275 ◽

2012 ◽

Vol 78 (11) ◽

Author(s):

SN Ebrahimi ◽

M Smiesko ◽

J Zaugg ◽

M Hamburger

Keyword(s):

Natural Products ◽

Absolute Configuration ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

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Quantum chemical modeling of the olefin oxidation in the triplet state

10.3390/ecsoc-19-e006 ◽

2015 ◽

Author(s):

Sergey Plehovitch ◽

Yuri Minasyan ◽

Sergei Zelentsov

Keyword(s):

Triplet State ◽

Quantum Chemical ◽

Quantum Chemical Modeling ◽

Chemical Modeling ◽

Olefin Oxidation

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NON-COVALENT INTERACTIONS AND INTERNAL DYNAMICS IN PYRIDINE-AMMONIA: A COMBINED QUANTUM-CHEMICAL AND MICROWAVE SPECTROSCOPY STUDY

Proceedings of the 72nd International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2017.rh08 ◽

2017 ◽

Author(s):

Cristina Puzzarini ◽

Walther Caminati ◽

Vincenzo Barone ◽

Fanny Vazart ◽

Nicola Tasinato ◽

...

Keyword(s):

Quantum Chemical ◽

Microwave Spectroscopy ◽

Spectroscopy Study ◽

Internal Dynamics ◽

Non Covalent Interactions ◽

Covalent Interactions

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A Quantum Chemical NMR Study of Branched and Unbranched Fluoropolymers

Журнал структурной химии ◽

10.15372/jsc20160507 ◽

2016 ◽

Keyword(s):

Quantum Chemical ◽

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A QUANTUM CHEMICAL STUDY OF THE MOLECULAR STRUCTURE OF ZINC(II) AND BORON(III) COMPLEXES WITH MONOIODO AND DIBROMO SUBSTITUTED DIPYRRINES

Журнал структурной химии ◽

10.15372/jsc20160104 ◽

2016 ◽

Vol 57 (1) ◽

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

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Quantum Chemical Studies of Hole Transfer in Liquid Hexane

IEEJ Transactions on Fundamentals and Materials ◽

10.1541/ieejfms.137.435 ◽

2017 ◽

Vol 137 (7) ◽

pp. 435-441

Author(s):

Masahiro Sato ◽

Akiko Kumada ◽

Kunihiko Hidaka ◽

Toshiyuki Hirano ◽

Fumitoshi Sato

Keyword(s):

Quantum Chemical ◽

Hole Transfer ◽

Chemical Studies ◽

Quantum Chemical Studies

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Examination on Permittivity Estimation of Hydrocarbon-based Thermosetting Resin based on Quantum Chemical Calculation

IEEJ Transactions on Fundamentals and Materials ◽

10.1541/ieejfms.137.626 ◽

2017 ◽

Vol 137 (11) ◽

pp. 626-631 ◽

Author(s):

Yuki Fuchi ◽

Ryota Nakasako ◽

Masahiro Kozako ◽

Masayuki Hikita ◽

Nobuhito Kamei

Keyword(s):

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Chemical Calculation ◽

Thermosetting Resin

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Towards Quantitative Evaluation of Charge Transfer in Insulating Material: Examination based on Quantum Chemical Calculations

IEEJ Transactions on Fundamentals and Materials ◽

10.1541/ieejfms.135.618 ◽

2015 ◽

Vol 135 (10) ◽

pp. 618-623

Author(s):

Masahiro Sato ◽

Akiko Kumada ◽

Kunihiko Hidaka

Keyword(s):

Charge Transfer ◽

Quantum Chemical Calculations ◽

Quantitative Evaluation ◽

Quantum Chemical ◽

Insulating Material

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Polycyclic aromatic hydrocarbons quantitative structure–activity relationship model based on quantum chemical parameters through density functional theory

Human Health and Medical Engineering ◽

10.2495/hhme130811 ◽

2014 ◽

Author(s):

Yu Li ◽

Xiaoyu Cai ◽

Yaling Zeng ◽

Long Jiang

Keyword(s):

Aromatic Hydrocarbons ◽

Quantum Chemical ◽

Density Functional ◽

Quantitative Structure Activity Relationship ◽

Chemical Parameters ◽

Functional Theory ◽

Quantum Chemical Parameters ◽

Structure Activity ◽

Relationship Model ◽

Polycyclic Aromatic

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