Новый уникальный метод точного определения потенциальной функции молекул на основе спектров микроволновых и субмиллиметровых волн: двухатомная молекула

Новый уникальный метод точного определения потенциальной функции молекул на основе спектров микроволновых и субмиллиметровых волн: двухатомная молекула

Bibliografiset tiedot
Parent link:	Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XХII Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 22-25 апреля 2025/ Национальный исследовательский Томский политехнический университет ; под ред. И. А. Курзиной [и др.].— .— Томск: Изд-во ТПУ Т. 1 : Физика.— 2025.— С. 242-244
Päätekijä:	Сидько С. С.
Muut tekijät:	Уленеков О. Н. Олег Николаевич (727)
Yhteenveto:	Заглавие с экрана A new method for the precise semiempirical determination of the basic parame ters (structural parameters and parameters of the intramolecular potential energy surface, PES) of a molecule on the basis of highly accurate experimental data from the microwave and submillimeterwave regions is suggested. The options and advantages of this method in comparison with the other methods of molecular PES determination are discussed using a diatomic molecule as an appropriate illustration. The HCl molecule is exploited as a suitable example. It is shown with this example that the use of a very limited number (ten for H35Cl and five for D35Cl) of submillimeter-wave line positions allows one to determine the values of the equilibrium rotational parameter, harmonic frequency, and anharmonic coefficients of the third, fourth, and fifth order with accuracy of 0.01 %, 0.01 %, 0.01 %, 2.1 %, and 10.1 %, respectively, in comparison with the analogous results obtained from extensive infrared studies Текстовый файл
Kieli:	venäjä
Julkaistu:	2025
Aiheet:	труды учёных ТПУ электронный ресурс intramolecular potential energy surface diatomic molecule basic parameters of HCl molecule
Linkit:	http://earchive.tpu.ru/handle/11683/132847
Aineistotyyppi:	Elektroninen Kirjan osa
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=682431

Samankaltaisia teoksia

A Method for the Precise Determination of the Intramolecular Potential Energy Surface on the Basis of Microwave and Submillimeter-Wave Spectra: Diatomic Molecules as a Relevant Illustration
Julkaistu: (2025)

Deremination of potential function of AsH3 molecule on the basis of experimental data
Julkaistu: (2006)

Comprehensive high resolution study of the SiH tetradecad stretching bands: Appearance and applications of the isotopic substitution effect in molecules of spherical symmetry
Julkaistu: (2024)

On the Method of Correct Determination of Eigenvalues of a Truncated Hamiltonian Matrix on the Example of a Morse Oscillator
Julkaistu: (2021)

Исследование фильтрационных и реологических свойств полимерного геля для повышения нефтеотдачи пластов
Julkaistu: (2019)

High-Resolution Spectroscopy of the CH2 = CD2 Molecule: Analysis of the Hot ν7 + ν10 - ν10 Band
Julkaistu: (2017)

Mass Spectrometry Imaging of Small Molecules Methods and Protocols /
Julkaistu: (2022)

Determination of Transformation Coefficients of the C2H4 Molecule
Julkaistu: (2016)

An Analysis of the High-Resolution Spectrum of the Weak v1+v2+v3 Absorption Band of the SO2 Molecule
Julkaistu: (2015)

Protein-Protein Docking Methods and Protocols /
Julkaistu: (2024)

Global Analysis of 24 Rovibrational Bands of the Octad of the 76GeH4 Molecule
Julkaistu: (2021)

Isotopic substitution shifts in methane and vibrational band assignment in the 5560–6200 cm-1 region
Julkaistu: (2009)

Hot water emission spectra: Rotational energy levels of the (0 0 0) and (0 1 0) states of HD17O
Tekijä: Mellau G. Ch. Georg
Julkaistu: (2015)

High resolution study of strongly interacting 2ν1(A1)/ν1+ν3(F2) bands of MGeH4 (M=76,74)
Julkaistu: (2018)

Selective and adsorptive removal of anionic dyes and CO2 with azolium-based metal-organic frameworks
Julkaistu: (2018)

Radionuclide Therapy of HER2-Expressing Xenografts Using [177Lu]Lu-ABY-027 Affibody Molecule Alone and in Combination with Trastuzumab
Julkaistu: (2023)

High resolution study of the lowest inversion-vibration bands of 15NHD2: Interacting bands ν5/ν6/2ν2
Julkaistu: (2020)

Affibody Molecules as Targeting Vectors for PET Imaging
Tekijä: Tolmachev V. M. Vladimir Maksimilianovich
Julkaistu: (2020)

Estimation of interaction energy of some functional groups of medical substances with protein molecules in water condition
Tekijä: Bondarev А. А.
Julkaistu: (2006)

Comparison of HER2-targeted affibody conjugates loaded with auristatin- and maytansine-derived drugs
Julkaistu: (2023)

Evaluating the Therapeutic Efficacy of Mono- and Bivalent Affibody-Based Fusion Proteins Targeting HER3 in a Pancreatic Cancer Xenograft Model
Julkaistu: (2020)

Line strength analysis of the 12CD4 infrared spectra in the pentad region
Julkaistu: (2025)

On the precise determination of spectroscopic parameters and vibrational energy structure of MSiH4 (M= 28, 29, 30) silane up to 9000 cm−1
Julkaistu: (2025)

Vibrational-Rotational Analysis of the Hot 2ν2-ν2 Band of the 15NH2D and 15NHD2 Molecules
Tekijä: Fomchenko A. L. Anna Leonidovna
Julkaistu: (2020)

HER2-Specific Pseudomonas Exotoxin A PE25 Based Fusions: Influence of Targeting Domain on Target Binding, Toxicity, and In Vivo Biodistribution
Julkaistu: (2020)

Critical evaluation of measured rotation–vibration transitions and an experimental dataset of energy levels of HD18O
Julkaistu: (2009)

Half-width and line center shifts formed by transitions into highly excited vibration states of CO molecule
Tekijä: Stroinova V. N.
Julkaistu: (2007)

First high resolution analysis of the 3ν2 and 3ν2−ν2 bands of 32S16O2
Julkaistu: (2017)

Analysis of high-resolution spectra of SiF4 combination bands
Tekijä: Merkulova M. A. Maria Andreevna
Julkaistu: (2023)

Analysis of the Intensities of the Absorption Lines in the υ7 Band of the C2D4 Molecule
Tekijä: Fomchenko A. L. Anna Leonidovna
Julkaistu: (2018)

Analysis of the High-Resolution Rovibrational Spectrum of the C2H2D2-cis Molecule in the Region 1620–1780 cm–1
Tekijä: Konova Yu. V. Yuliya Vladimirovna
Julkaistu: (2019)

Magnetic Control of Tokamak Plasmas
Tekijä: Ariola, Marco, et al.
Julkaistu: (2016)

Determining the Parameters of the Ground Vibrational State of the 28SiH4 Molecule
Julkaistu: (2017)

Analytical presentation of symmetrized vibrational functions of high symmetry molecules for applications in molecular spectroscopy and chemical physics: Accurate prediction of the vibrational spectrum of GeH4 up to 8000 cm−1 as a relevant application example
Julkaistu: (2024)

Ferromagnetically Coupled S=1 Chains in Crystals of Verdazyl-Nitronyl Nitroxide Diradicals
Julkaistu: (2020)

High-resolution spectroscopy of C2H3D: Line positions and energy structure of the strongly interacting ν10,ν7,ν8,ν4 and ν6 bands
Julkaistu: (2022)

Charge transfer and heat in photocatalysis
Tekijä: Averkiev A. A. Andrey
Julkaistu: (2021)

Expanded ro–vibrational analysis of the dyad region of CD: Line positions and energy levels
Julkaistu: (2022)

Philosophy of Astrophysics Stars, Simulations, and the Struggle to Determine What is Out There /
Julkaistu: (2023)

Half-life extension via ABD-fusion leads to higher tumor uptake of an affibody-drug conjugate compared to PAS- and XTENylation
Julkaistu: (2024)