Search Results - "Rykov, Anatolii N."

Study of the Thymine Molecule: Equilibrium Structure from Joint Analysis of Gas-Phase Electron Diffraction and Microwave Data and Assignment of Vibrational Spectra Using Results of Ab initio Calculations by Vogt, Natalja, Khaikin, Leonid S, Grikina, Olga E, Rykov, Anatolii N, Vogt, Jürgen

“…Thymine is one of the nucleobases which forms the nucleic acid  (NA) base pair with adenine in DNA. The study of molecular structure and dynamics of…”
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Molecular Structure of Pyrazinamide: A Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories by Otlyotov, Arseniy A, Girichev, Georgiy V, Rykov, Anatolii N, Glodde, Timo, Vishnevskiy, Yury V

“…Accuracy and precision of molecular parameters determined by modern gas electron diffraction have been investigated. Diffraction patterns of gaseous…”
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Conformational and Bonding Properties of 3,3-Dimethyl- and 6,6-Dimethyl-1,5-diazabicyclo[3.1.0]hexane: A Case Study Employing the Monte Carlo Method in Gas Electron Diffraction by Vishnevskiy, Yury V, Schwabedissen, Jan, Rykov, Anatolii N, Kuznetsov, Vladimir V, Makhova, Nina N

“…Gas-phase structures of two isomers of dimethyl-substituted 1,5-diazabicyclo[3.1.0]­hexanes, namely, 3,3-dimethyl- and…”
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From the Determination of the Accurate Equilibrium Structure of 1‑Methylthymine by Gas Electron Diffraction and Coupled Cluster Computations to the Observation of Methylation and Flexibility Effects in Pyrimidine Nucleobases by Vogt, Natalja, Marochkin, Ilya I, Rykov, Anatolii N

“…1-Methylthymine is of particular interest because it can be considered as a simple model of thymidine, in which deoxyribose attaches to thymine precisely at…”
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Structure of C60F36: A Gas-Phase Electron Diffraction and Quantum Chemical Computational Study of a Remarkably Distorted Fluorofullerene by Belyakov, Alexander V, Kulishenko, Roman Yu, Johnson, Robert D, Shishkov, Igor F, Rykov, Anatolii N, Markov, Vitaliy Yu, Khinevich, Viktor E, Goryunkov, Alexey A

“…The equilibrium molecular structure of the gaseous fluorofullerene C60F36 has been determined for the first time by the electron diffraction method with the…”
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Joint gas-phase electron diffraction and quantum chemical study of conformational landscape and molecular structure of sulfonamide drug sulfanilamide by Kolesnikova, Inna N., Rykov, Anatolii N., Kuznetsov, Vladimir V., Shishkov, Igor F.

“…Conformational composition and molecular structure of sulfanilamide ( para- aminobenzenesulfonamide, SA) has been investigated by means of gas electron…”
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A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of uracil from gas-phase electron diffraction data and coupled-cluster calculations by Vogt, Natalja, Khaikin, Leonid S., Grikina, Olga E., Rykov, Anatolii N.

“…•Equilibrium structure of uracil has been determined for the first time from the gas-phase electron diffraction data.•Rovibrational corrections to the…”
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Interplay of Experiment and Theory: Determination of an Accurate Equilibrium Structure of 1‑Methyluracil by the Gas Electron Diffraction Method and Coupled-Cluster Computations by Vogt, Natalja, Marochkin, Ilya I, Rykov, Anatolii N, Dorofeeva, Olga V

“…As far as fundamental knowledge is concerned, the methyl derivatives of uracil can be considered as the simplest objects for studying the structural effects…”
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Gas phase equilibrium structure of histamine by Tikhonov, Denis S, Rykov, Anatolii N, Grikina, Olga E, Khaikin, Leonid S

“…The first gas electron diffraction (GED) experiment for histamine was carried out. The equilibrium structure of histamine in the gas phase was determined on…”
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Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method by Marochkin, Ilya I., Kuznetsov, Vladimir V., Rykov, Anatolii N., Makhova, Nina N., Shishkov, Igor F.

“…The molecular structure of 1,2,3-trimethyldiaziridine has been determined from the gas-phase electron diffraction data supplemented spectral and quantum…”
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Nitroxoline Molecule: Planar or Not? A Story of Battle between π–π Conjugation and Interatomic Repulsion by Tikhonov, Denis S, Sharapa, Dmitry I, Otlyotov, Arseniy A, Solyankin, Peter M, Rykov, Anatolii N, Shkurinov, Alexander P, Grikina, Olga E, Khaikin, Leonid S

“…The conformational properties of the nitro group in nitroxoline (8-hydroxy-5-nitroquinoline, NXN) were investigated in the gas phase by means of gas electron…”
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Internal rotation and intramolecular hydrogen bonding in thiosalicylamide: gas phase electron diffraction study supported by quantum chemical calculations by Kolesnikova, Inna N., Rykov, Anatolii N., Shuvalov, Maxim V., Shishkov, Igor F.

“…The molecular structure of thiosalicylamide (2-hydroxythiobenzamide) was investigated in the gas phase at 401 K by means of gas electron diffraction (GED)…”
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3-Cyclopropyl-1,2-dimethyldiaziridine: synthesis and study of molecular structure by gas electron diffraction method by Altova, Ekaterina P., Kuznetsov, Vladimir V., Marochkin, Ilya I., Rykov, Anatolii N., Makhova, Nina N., Shishkov, Igor F.

“…The molecular structure and conformational behavior of 3-cyclopropyl-1,2-dimethyldiaziridine have been for the first time experimentally studied by gas-phase…”
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Structure and Bonding Nature of the Strained Lewis Acid 3-Methyl-1-boraadamantane: A Case Study Employing a New Data-Analysis Procedure in Gas Electron Diffraction by Vishnevskiy, Yury V., Abaev, Maxim A., Rykov, Anatolii N., Gurskii, Mikhail E., Belyakov, Pavel A., Erdyakov, Sergey Yu, Bubnov, Yuri N., Mitzel, Norbert W.

“…Base‐free 3‐methyl‐1‐boraadamantane was synthesized by starting from its known THF adduct, transforming it to a butylate‐complex with n‐butyllithium, cleaving…”
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Molecular Structure of 9H-Adenine Tautomer: Gas-Phase Electron Diffraction and Quantum-Chemical Studies by Vogt, Natalja, Dorofeeva, Olga V, Sipachev, Victor A, Rykov, Anatolii N

“…Molecular geometry of 9H-adenine tautomer was calculated by MP2 method using several basis sets (up to cc-pVQZ). According to the results of all…”
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Determination of molecular structure of succinic acid in a very complex conformational landscape: Gas-phase electron diffraction (GED) and ab initio studies by Vogt, Natalja, Abaev, Maxim A., Rykov, Anatolii N., Shishkov, Igor F.

“…► Molecular structure of succinic acid from electron diffraction and ab initio. ► Anharmonic vibrational corrections from ab initio cubic force field. ►…”
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Molecular Structure of 1,5-Diazabicyclo[3.1.0]hexane as Determined by Gas Electron Diffraction and Quantum-Chemical Calculations by Vishnevskiy, Yuri V, Vogt, Natalja, Vogt, Jürgen, Rykov, Anatolii N, Kuznetsov, Vladimir V, Makhova, Nina N, Vilkov, Lev V

“…The equilibrium molecular structure and conformation of 1,5-diazabicyclo[3.1.0]hexane (DABH) has been studied by the gas-phase electron-diffraction method at…”
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Equilibrium structure and relative stability of glyceraldehyde conformers: Gas-phase electron diffraction (GED) and quantum-chemical studies by Vogt, Natalja, Atavin, Evgenii G., Rykov, Anatolii N., Popov, Evgenii V., Vilkov, Lev V.

“…For the first time, the five dimensional (5-D) analysis of potential energy surface (PES) from quantum-chemical calculations was carried out to predict…”
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Molecular Structure and Conformational Composition of 1,3-Dihydroxyacetone Studied by Combined Analysis of Gas-Phase Electron Diffraction Data, Rotational Constants, and Results of Theoretical Calculations.  Ideal Gas Thermodynamic Properties of 1,3-Dihydroxyacetone by Dorofeeva, Olga V, Vogt, Natalja, Vogt, Jürgen, Popik, Mikhail V, Rykov, Anatolii N, Vilkov, Lev V

“…The molecular structure of 1,3-dihydroxyacetone (DHA) has been studied by gas-phase electron diffraction (GED), combined analysis of GED and microwave (MW)…”
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Conformation and equilibrium molecular structure of isoniazid in the gas phase by Kolesnikova, Inna N., Rykov, Anatolii N., Shishkov, Igor F.

“…•Isoniazid molecule was characterized by gas-phase electron diffraction.•Equilibrium structural parameters were obtained by using anharmonic corrections.•NBO,…”
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