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First Examples of s -Metal Complexes with Subporphyrazine and Its Phenylene-Annulated Derivatives: DFT Calculations

International journal of molecular sciences, 2024-06, Vol.25 (13), p.6897

2024

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Dimer Rhenium Tetrafluoride with a Triple Bond Re-Re: Structure, Bond Strength

Molecules (Basel, Switzerland), 2023-04, Vol.28 (9), p.3665

2023

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Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11464-11476

2023

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Cyclic Dimers of 4-n-Propyloxybenzoic Acid with Hydrogen Bonds in the Gaseous State

International journal of molecular sciences, 2022-12, Vol.23 (23), p.15079

2022

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Molecular Structure, Vibrational Spectrum and Conformational Properties of 4-(4-Tritylphenoxy)phthalonitrile-Precursor for Synthesis of Phthalocyanines with Bulky Substituent

International journal of molecular sciences, 2022-11, Vol.23 (22), p.13922

2022

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Tautomeric Properties and Gas-Phase Structure of Acetylacetone

Journal of organic chemistry, 2014-06, Vol.79 (12), p.5412-5419

2014

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Molecular Structure of Gaseous Oxopivalate Co(II): Electronic States of Various Multiplicities

International journal of molecular sciences, 2023-09, Vol.24 (17), p.13224

2023

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The Effect of Intramolecular Hydrogen Bond Type on the Gas-Phase Deprotonation of ortho -Substituted Benzenesulfonic Acids. A Density Functional Theory Study

Molecules (Basel, Switzerland), 2020-12, Vol.25 (24), p.5806

2020

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Molecular Structure of Nickel Octamethylporphyrin-Rare Experimental Evidence of a Ruffling Effect in Gas Phase

International journal of molecular sciences, 2021-12, Vol.23 (1), p.320

2021

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Accurate equilibrium structure of 3-aminophthalimide from gas electron diffraction and coupled-cluster computations and diverse structural effects due to electron density transfer

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (47), p.27539-27546

2020

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1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures

Organic & biomolecular chemistry, 2015-01, Vol.13 (33), p.8893-8905

2015

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Is There an Adduct of Pyridine N‑Oxide and Boron Trifluoride in the Gaseous State? Gas Electron Diffraction vs Mass Spectrometry

Inorganic chemistry, 2024-09, Vol.63 (35), p.16451-16460

2024

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The Perfluoro‐o‐phenylene‐mercury Trimer [Hg(o‐C6F4)]3 – a Textbook Example of Phase‐Dependent Structural Differences

Chemistry : a European journal, 2024-08, Vol.30 (46), p.e202401575-n/a

2024

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Unexpected Conformational Properties of 1-Trifluoromethyl-1-Silacyclohexane, C5H10SiHCF3: Gas Electron Diffraction, Low-Temperature NMR Spectropic Studies, and Quantum Chemical Calculations

Chemistry : a European journal, 2007, Vol.13 (6), p.1776-1783

2007

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Molecular Structure of Pyrazinamide: A Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (25), p.5204-5211

2020

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Gas-phase equilibrium molecular structures and ab initio thermochemistry of anthracene and rubrene

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (47), p.29195-29204

2022

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Molecular structure and electron distribution of 4-nitropyridine N-oxide: Experimental and theoretical study of substituent effects

Journal of molecular structure, 2020-10, Vol.1217, p.128476-128476, Article 128476

2020

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Gas‐Phase Structures of Potassium Tetrakis(hexafluoro‐ acetylacetonato) Lanthanide(III) Complexes [KLn(C5HF6O2)4] (Ln=La, Gd, Lu)

Chemistry : a European journal, 2021-01, Vol.27 (3), p.1103-1112

2021

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The Structure of Mn(acac)3—Experimental Evidence of a Static Jahn–Teller Effect in the Gas Phase

Angewandte Chemie International Edition, 2017-12, Vol.56 (49), p.15751-15754

International ed. in English, 2017

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Ligand Coordination in Bis(β-diketonato) d Metals: The Mn(II) Case of D 2h versus D 2d Symmetry

Inorganic chemistry, 2019-04, Vol.58 (7), p.4344-4349

2019

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Accurate Determination of Equilibrium Structure of 3‑Aminophthalonitrile by Gas Electron Diffraction and Coupled-Cluster Computations: Structural Effects Due to Intramolecular Charge Transfer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-11, Vol.120 (44), p.8853-8861

2016

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Ligand Coordination in Bis(β-diketonato) d Metals: The Mn(II) Case of D 2 h versus D 2 d Symmetry

Inorganic chemistry, 2019-04, Vol.58 (7), p.4344-4349

2019

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The molecular structure of 4-methylpyridine-N-oxide: Gas-phase electron diffraction and quantum chemical calculations

Journal of molecular structure, 2018-03, Vol.1156, p.210-215

2018

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DFT Study of molecular and electronic structure of magnesium (II) tetra(1,2,5-chalcogenadiazolo) porphyrazines, [TXDPzMg] (X = O, S, Se, Te)

Journal of porphyrins and phthalocyanines, 2017-04, Vol.21 (4-06), p.439-452

2017

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Sublimation enthalpy of tetrakis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)lanthanide(III)-potassium complexes, KLn(C5HF6O2)4: Effect of lanthanide contraction

The Journal of chemical thermodynamics, 2019-04, Vol.131, p.117-121

2019

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First Examples of s -Metal Complexes with Subporphyrazine and Its Phenylene-Annulated Derivatives: DFT Calculations

Dimer Rhenium Tetrafluoride with a Triple Bond Re-Re: Structure, Bond Strength

Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond

Cyclic Dimers of 4-n-Propyloxybenzoic Acid with Hydrogen Bonds in the Gaseous State

Molecular Structure, Vibrational Spectrum and Conformational Properties of 4-(4-Tritylphenoxy)phthalonitrile-Precursor for Synthesis of Phthalocyanines with Bulky Substituent

Tautomeric Properties and Gas-Phase Structure of Acetylacetone

Molecular Structure of Gaseous Oxopivalate Co(II): Electronic States of Various Multiplicities

The Effect of Intramolecular Hydrogen Bond Type on the Gas-Phase Deprotonation of ortho -Substituted Benzenesulfonic Acids. A Density Functional Theory Study

Molecular Structure of Nickel Octamethylporphyrin-Rare Experimental Evidence of a Ruffling Effect in Gas Phase

Accurate equilibrium structure of 3-aminophthalimide from gas electron diffraction and coupled-cluster computations and diverse structural effects due to electron density transfer

1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures

Is There an Adduct of Pyridine N‑Oxide and Boron Trifluoride in the Gaseous State? Gas Electron Diffraction vs Mass Spectrometry

The Perfluoro‐o‐phenylene‐mercury Trimer [Hg(o‐C6F4)]3 – a Textbook Example of Phase‐Dependent Structural Differences

Unexpected Conformational Properties of 1-Trifluoromethyl-1-Silacyclohexane, C5H10SiHCF3: Gas Electron Diffraction, Low-Temperature NMR Spectropic Studies, and Quantum Chemical Calculations

Molecular Structure of Pyrazinamide: A Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

Gas-phase equilibrium molecular structures and ab initio thermochemistry of anthracene and rubrene

Molecular structure and electron distribution of 4-nitropyridine N-oxide: Experimental and theoretical study of substituent effects

Gas‐Phase Structures of Potassium Tetrakis(hexafluoro‐ acetylacetonato) Lanthanide(III) Complexes [KLn(C5HF6O2)4] (Ln=La, Gd, Lu)

The Structure of Mn(acac)3—Experimental Evidence of a Static Jahn–Teller Effect in the Gas Phase

Ligand Coordination in Bis(β-diketonato) d Metals: The Mn(II) Case of D 2h versus D 2d Symmetry

Accurate Determination of Equilibrium Structure of 3‑Aminophthalonitrile by Gas Electron Diffraction and Coupled-Cluster Computations: Structural Effects Due to Intramolecular Charge Transfer

Ligand Coordination in Bis(β-diketonato) d Metals: The Mn(II) Case of D 2 h versus D 2 d Symmetry

The molecular structure of 4-methylpyridine-N-oxide: Gas-phase electron diffraction and quantum chemical calculations

DFT Study of molecular and electronic structure of magnesium (II) tetra(1,2,5-chalcogenadiazolo) porphyrazines, [TXDPzMg] (X = O, S, Se, Te)

Sublimation enthalpy of tetrakis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)lanthanide(III)-potassium complexes, KLn(C5HF6O2)4: Effect of lanthanide contraction

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