Search Results - "Krivdin, Leonid B"

Computational NMR of Carbohydrates: Theoretical Background, Applications, and Perspectives by Krivdin, Leonid B

“…This review is written amid a marked progress in the calculation of NMR parameters of carbohydrates substantiated by a vast amount of experimental data coming…”
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Structural applications of the isotropic liquid‐phase deuterium nuclear magnetic resonance by Krivdin, Leonid B.

“…Present review is focused on recent experimental and computational advances of the liquid‐phase deuterium nuclear magnetic resonance (NMR). Nowadays, isotropic…”
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DFT computational schemes for 1H and 13C NMR chemical shifts of natural products, exemplified by strychnine by Semenov, Valentin A., Krivdin, Leonid B.

“…A number of computational schemes based on different Density Functional Theory (DFT) functionals in combination with a number of basis sets were tested in the…”
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Stereochemical Study of the Super Large Tetrakis Alkaloid Alasmontamine A by Means of an Advanced Computational NMR by Semenov, Valentin A, Krivdin, Leonid B

“…H and C NMR chemical shifts of the tetrakis monoterpene indole alkaloid alasmontamine A, with a molecular formula of C H N O , have been calculated within the…”
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The Development of Pharmacophore Models for the Search of New Natural Inhibitors of SARS-CoV-2 Spike RBD-ACE2 Binding Interface by Semenov, Valentin A, Krivdin, Leonid B

“…To date, some succeeding variants of SARS-CoV-2 have become more contagious. This virus is known to enter human cells by binding the receptor-binding domain…”
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Computational NMR Study of Benzothienoquinoline Heterohelicenes by Semenov, Valentin A, Martin, Gary E, Krivdin, Leonid B

“…Early NMR studies of several heterohelicenes containing an annular nitrogen atom and a thiophene ring in their structure suggested the possibility of the…”
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Calculation of 15 N NMR chemical shifts: Recent advances and perspectives by Krivdin, Leonid B

“…Recent advances in computation of N NMR chemical shifts are reviewed, concentrating mainly on practical aspects of computational protocols and accuracy…”
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Four-Component Relativistic Calculations of NMR Shielding Constants of the Transition Metal Complexes—Part 2: Nitrogen-Coordinated Complexes of Cobalt by Samultsev, Dmitry O., Semenov, Valentin A., Rusakova, Irina L., Krivdin, Leonid B.

“…Both four-component relativistic and nonrelativistic computations within the GIAO-DFT(PBE0) formalism have been carried out for 15N and 59Co NMR shielding…”
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Four-Component Relativistic Calculations of NMR Shielding Constants of the Transition Metal Complexes—Part 3: Fe, Co, Ni, Pd, and Pt Glycinates by Samultsev, Dmitry O., Semenov, Valentin A., Krivdin, Leonid B.

“…The relativistic effects of the values of the shielding constants of 1H, 13C, 15N, 57Fe, 59Co, 61Ni, 105Pd, and 195Pt nuclei were studied at the four-component…”
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Recent Developments in the Synthesis of Organoselenium Compounds Based on the Reactions of Organic Diselenides with Acetylenes by Maxim V. Musalov, Vladimir A. Potapov, Maria V. Musalova, Svetlana V. Amosova, Leonid B. Krivdin

“…The last decade has witnessed significant progress in the development of novel synthetic methods for the preparation of a variety of new functionalized and…”
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Theoretical calculations of carbon-hydrogen spin-spin coupling constants by Krivdin, Leonid B

“…Structural applications of theoretical calculations of carbon-hydrogen spin-spin coupling constants are reviewed covering papers published mainly during the…”
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On the accuracy factors and computational cost of the GIAO–DFT calculation of 15N NMR chemical shifts of amides by Samultsev, Dmitry O., Semenov, Valentin A., Krivdin, Leonid B.

“…The main factors affecting the accuracy and computational cost of Gauge‐independent Atomic Orbital–density functional theory (GIAO–DFT) calculation of 15N NMR…”
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Computational 1H and 13C NMR in structural and stereochemical studies by Krivdin, Leonid B.

“…Present review outlines the advances and perspectives of computational 1H and 13C NMR applied to the stereochemical studies of inorganic, organic, and…”
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Carbon-carbon spin-spin coupling constants: Practical applications of theoretical calculations by Krivdin, Leonid B

“…Practical applications of theoretical calculations of carbon-carbon spin-spin coupling constants in particular classes of organic and bioorganic molecules are…”
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Liquid‐Phase NMR of Humic and Fulvic Acids by Krivdin, Leonid B.

“…Present review focuses on the most recent advances in the NMR of the coal‐derived humic and fulvic acids, covering exclusively the results of the liquid‐phase…”
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Liquid‐phase NMR of asphaltenes by Krivdin, Leonid B.

“…The present review focuses on the most recent advances in liquid‐phase NMR of asphaltenes, leaving apart an overwhelming amount of publications dealing with…”
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Recent advances in liquid‐phase NMR of the coal‐derived products by Krivdin, Leonid B.

“…Present review focuses on the most recent advances in a liquid‐phase nuclear magnetic resonance (NMR) of the coal‐derived products—coal tar pitches,…”
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An overview of Helium-3 NMR: Recent developments and applications by Krivdin, Leonid B.

“…[Display omitted] •3He NMR has become an important technique for studies in chemistry and medicine.•3He NMR is an excellent temperature-independent…”
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17O nuclear magnetic resonance: Recent advances and applications by Krivdin, Leonid B

“…The present review is focused on the most recent achievements in the application of liquid phase 17O nuclear magnetic resonance (NMR) to inorganic, organic,…”
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17 O nuclear magnetic resonance: Recent advances and applications by Krivdin, Leonid B

“…The present review is focused on the most recent achievements in the application of liquid phase O nuclear magnetic resonance (NMR) to inorganic, organic, and…”
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