Bibliografias temáticas / Asymmetric top molecule

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Literatura científica selecionada sobre o tema "Asymmetric top molecule"

Autor: Grafiati
Publicado: 22 de fevereiro de 2025

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Artigos de revistas sobre o assunto "Asymmetric top molecule"

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Coudert, L. H. "Optimal orientation of an asymmetric top molecule with terahertz pulses". Journal of Chemical Physics 146, n.º 2 (14 de janeiro de 2017): 024303. http://dx.doi.org/10.1063/1.4973773.

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Schmiedt, Hanno, Stephan Schlemmer, Sergey N. Yurchenko, Andrey Yachmenev e Per Jensen. "A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules". Physical Chemistry Chemical Physics 19, n.º 3 (2017): 1847–56. http://dx.doi.org/10.1039/c6cp05589c.

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Carvajal, M., C. Favre, I. Kleiner, C. Ceccarelli, E. A. Bergin e D. Fedele. "Impact of nonconvergence and various approximations of the partition function on the molecular column densities in the interstellar medium". Astronomy & Astrophysics 627 (julho de 2019): A65. http://dx.doi.org/10.1051/0004-6361/201935469.

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We emphasize that the completeness of the partition function, that is, the use of a converged partition function at the typical temperature range of the survey, is very important to decrease the uncertainty on this quantity and thus to derive reliable interstellar molecular densities. In that context, we show how the use of different approximations for the rovibrational partition function together with some interpolation and/or extrapolation procedures may affect the estimate of the interstellar molecular column density. For that purpose, we apply the partition function calculations to astronomical observations performed with the IRAM-30 m telescope towards the NGC 7538–IRS1 source of two N-bearing molecules: isocyanic acid (HNCO, a quasilinear molecule) and methyl cyanide (CH3CN, a symmetric top molecule). The case of methyl formate (HCOOCH3), which is an asymmetric top O-bearing molecule containing an internal rotor is also discussed. Our analysis shows that the use of different partition function approximations leads to relative differences in the resulting column densities in the range 9–43%. Thus, we expect this work to be relevant for surveys of sources with temperatures higher than 300 K and to observations in the infrared.
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Che, Dock-Chil, Federico Palazzetti, Yasuhiro Okuno, Vincenzo Aquilanti e Toshio Kasai. "Electrostatic Hexapole State-Selection of the Asymmetric-Top Molecule Propylene Oxide†". Journal of Physical Chemistry A 114, n.º 9 (11 de março de 2010): 3280–86. http://dx.doi.org/10.1021/jp909553t.

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Vacherand, J. M., e J. Demaison. "Notizen: Remark on the Off-Diagonal Rotational g-Tensor Elements in Asymmetric-Top Molecules". Zeitschrift für Naturforschung A 41, n.º 6 (1 de junho de 1986): 879–80. http://dx.doi.org/10.1515/zna-1986-0616.

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The isotopic dependence of the g-tensor of an asymmetric top molecule is investigated. A relationship is proposed which may be used to determine the g-tensor for isotopic species without measurements.
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Oldag, Frank, e Dieter H. Sutter. "The Rotational Zeeman Effect in Acetone, its g-Tensor, its Magnetic Susceptibility Anisotropics and its Molecular Electric Quadrupole Moment Tensor; A High Resolution Microwave Fourier Transform Study". Zeitschrift für Naturforschung A 47, n.º 3 (1 de março de 1992): 527–32. http://dx.doi.org/10.1515/zna-1992-0315.

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Abstract Acetone is a molecule with an intermediate barrier for methyl- top internal rotation, and only molecules in the A1A1 - state of the tunneling motion exhibit a rigid rotor spectrum. For this state we report the results of a rotational Zeeman effect study of acetone in exterior fields up to 20 kGauss (2 Tesla). From an analysis of the observed Zeeman splittings within the asymmetric top approximation the nonzero elements of the g-tensor and the magnetic susceptibility anisotropies were obtained as follows: gaa= -0.04379 (8), gbb = - 0.06611 (5), gcc=-O.O1481 (7), 2ξaa -ξbb - ξcc = - 9.53 (21) 10-6 erg G -2 mole-1 and 2 ξbb - ξcc - ξaa = 25.57 (18) 10-6 erg G -2 mole-1 . The nonzero elements of the molecular electric quadrupole moment tensor were derived as Qaa- 2-77 (13) DÅ, Qbb= -4.59 (10) DÅ and Qcc= 1.82 (15) DÅ. Zeeman spectra were also recorded for seveal low-J transitions of molecules in the EE-state of methyl top tunneling (one top tunneling), and so far the same splittings have been found as for the A1 A1-species
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Song Xiao-Shu, Linghu Rong-Feng, Lü Bing, Cheng Xin-Lu e Yang Xiang-Dong. "Study on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O". Acta Physica Sinica 57, n.º 6 (2008): 3440. http://dx.doi.org/10.7498/aps.57.3440.

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Xiao-Shu, Song, Guo Yun-Dong, Ling-Hu Rong-Feng, Lü Bing, Cheng Xin-Lu e Yang Xiang-Dong. "Study on High-Temperature Spectra of Asymptotic Asymmetric-Top Molecule O 3". Communications in Theoretical Physics 50, n.º 2 (agosto de 2008): 481–85. http://dx.doi.org/10.1088/0253-6102/50/2/40.

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Dreizler, H., e S. Kassi. "On the Ambiguity of Complex Structures Derived from one Set of Rotational Constants". Zeitschrift für Naturforschung A 53, n.º 9 (1 de setembro de 1998): 743–46. http://dx.doi.org/10.1515/zna-1998-0902.

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Abstract It is shown algebraically that from one set of rotational constants or moments of inertia of a complex formed by an asymmetric top molecule and a rare gas atom, eight generally different structures result which are compatible with the moments of inertia.
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Mitra, Krishna, e Pradip N. Ghosh. "Vibration-internal rotation-rotation Hamiltonian of an asymmetric top molecule with C3v internal rotor". Journal of Molecular Spectroscopy 109, n.º 2 (fevereiro de 1985): 374–87. http://dx.doi.org/10.1016/0022-2852(85)90320-0.

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Teses / dissertações sobre o assunto "Asymmetric top molecule"

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Merkulova, Mariia. "Study of centrifugal and resonance effects in the asymmetric and spherical top molecules : C2D4, ClO2, CD4, SiF4". Electronic Thesis or Diss., Bourgogne Franche-Comté, 2024. http://www.theses.fr/2024UBFCK078.

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Les travaux sont consacrés à l'obtention de nouvelles informations de haute précision par l'étude de spectres à haute résolution de molécules de type sphérique et asymétrique, ainsi qu'au développement de nouvelles méthodes et à l'amélioration des méthodes existantes pour l'analyse des spectres de molécules dans des états électroniques non singlés. L'étude des spectres rotationnels et vibrationnels-rotationnels des molécules polyatomiques en phase gazeuse est depuis longtemps d'une importance fondamentale pour déterminer la géométrie moléculaire exacte dans différents états vibrationnels, pour obtenir des informations sur le champ de force interne, les paramètres d'interaction vibrationnelle-rotationnelle, les moments dipolaires, pour calculer les fonctions thermodynamiques et, en général, pour obtenir des informations sur la relation entre la structure et les propriétés physiques de la molécule.Dans ce travail, l'analyse des positions des raies spectrales vibrationnelles-rotationnelles des bandes de combinaison des molécules SiF4, CD4, C2D4, ClO2 et de leurs isotopologues a été réalisée pour la première fois. Le problème spectroscopique inverse a été résolu pour les bandes étudiées. Les ensembles de paramètres spectroscopiques obtenus permettent de reproduire les valeurs des niveaux d'énergie excités avec une précision qui n'est pas inférieure à la précision expérimentale. En utilisant les paramètres spectroscopiques obtenus pour les bandes combinées de la molécule SiF4 et le progiciel XTDS, le calcul des positions des raies a été effectué pour la première fois et les spectres théoriques des bandes « chaudes » de cette molécule, jusqu'à la 14ème polyade, ont été calculés
The work is devoted to obtaining new high-precision information by studying high-resolution spectra of molecules of the spherical and asymmetric top type, as well as developing new and improving existing methods for analyzing the spectra of molecules in non-singlet electronic states.The study of rotational and vibrational-rotational spectra of polyatomic molecules in the gas phase has long been of fundamental importance for determining the exact molecular geometry in various vibrational states, for obtaining information on the internal force field, vibrational-rotational interaction parameters, dipole moments, calculating thermodynamic functions and, in general, for obtaining information on the relationship between the structure and physical properties of the molecule.In this work, the analysis of the positions of vibrational-rotational spectra lines of combination bands of the SiF4, CD4, C2D4, ClO2 molecules and their isotopologues was performed for the first time. The inverse spectroscopic problem was solved for the studied bands. The obtained sets of spectroscopic parameters allow reproducing the values ​​of excited energy levels with an accuracy not worse than the experimental one. Using the obtained spectroscopic parameters of the combination bands of the SiF4 molecule and the XTDS software package, the calculation of the line positions was performed for the first time and theoretical spectra of the "hot" bands of this molecule, up to the 14th polyad, were calculated. In addition, new high-precision spectra of the ground state of the SiH4 molecule were obtained and analyzed, and the analysis of the spectral line intensities was performed to improve the data on the dipole moment parameters
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Lohilahti, J. (Jarmo). "Rotation-vibration spectroscopic studies of formaldehyde and formic acid". Doctoral thesis, University of Oulu, 2006. http://urn.fi/urn:isbn:9514280938.

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Abstract The thesis consists of seven studies dealing with high resolution vibration-rotation spectra of planar asymmetric tops. Six studies deal with D212CO and D213CO species of the formaldehyde molecule and one study is from DCOOH specie of the formic acid molecule. The measurements were carried out at high accuracy and the rotational analyses of the recorded spectra were performed. The observed anharmonic and Coriolis resonances were taking into account in the analyses. The rotational constants of the present and literature studies were used in evaluation of the planarity defects of formaldehyde and formic acid molecules in the summary part of the thesis. Finally, a semi-experimental structure for formaldehyde was obtained by employing experimental and theoretical data.
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Nakamura, Masaaki, e 中村雅明. "Ion Imaging Detection of Roaming Pathway in Methyl Formate and Stereodynamic Behavior in Asymmetric Top Molecules Oriented through a Hexapole State Selector". Thesis, 2017. http://ndltd.ncl.edu.tw/handle/x225ez.

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博士
國立臺灣大學
化學研究所
105
The thesis is mainly divided into two parts: roaming pathway following photodissociation of methyl formate and stereodynamics in photodissociation of asymmetric top chiral molecules as oriented. They share the same molecular beam apparatus including a time-of-flight spectrometer coupled with ion imaging. For stereodynamic research, an additional hexapole state selector is installed for molecular orientation. In the first part, the ion imaging of CO (v = 1) was acquired with a (2+1) resonance enhanced multiphoton ionization (REMPI) spectroscopy following photolysis of methyl formate at 248 nm. The obtained low-rotational (J) and high-J components of bimodal rotational distributions are ascribed to roaming and conventional transition state pathways, respectively. The results are consistent with the prediction by quasiclassical trajectory calculations. Further comparison with the results of time-resolved FTIR emission spectroscopy is discussed. In the second part, an additional hexapole state selector is installed to orient an asymmetric top chiral molecule, 2-bromobutane. The obtained photofragment ion images of Br (or Br*) presented an up-down asymmetry, caused by the spatial orientation of 2-bromobutane. As a result, the stereodynamic behavior is looked into to find out asymmetry factor, anisotropy parameter, the angle between transition dipole moment and recoiling velocity and the angle between permanent dipole moment and the recoiling velocity. The photofragment distribution gives the insight into the complex photodissociation dynamics of asymmetric top molecules. The possibility to differentiate enantiomers using a linearly polarized laser is also discussed.
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Livros sobre o assunto "Asymmetric top molecule"

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Hüttner, W., ed. Asymmetric Top Molecules. Part 1. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-10371-1.

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Hüttner, W., ed. Asymmetric Top Molecules. Part 2. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-10400-8.

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Hüttner, W., ed. Asymmetric Top Molecules. Part 3. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14145-4.

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Hüttner, W., ed. Rotational Constants of Diamagnetic Asymmetric Top Molecules. Berlin/Heidelberg: Springer-Verlag, 2000. http://dx.doi.org/10.1007/b58835.

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Hüttner, W., ed. Rotational and Related Constants of Diamagnetic Asymmetric Top Molecules. Berlin/Heidelberg: Springer-Verlag, 1992. http://dx.doi.org/10.1007/b44334.

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Vogt, Jürgen, Jean Demaison, Georges Wlodarczak e Wolfgang Hüttner. Molecular Constants - Asymmetric Top Molecules. Springer, 2011.

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Molecular Constants Of Asymmetric Top Molecules. Springer, 2011.

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Asymmetric Top Molecules, Part 2. Springer, 2011.

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Demaison, J., G. Wlodarczak e J. Vogt. Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules (Numerical Data & Functional Relationships in Science & Technology). Springer, 2000.

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Eland, John H. D., e Raimund Feifel. Triatomic molecules. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198788980.003.0004.

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Double ionisation of the triatomic molecules presented in this chapter shows an added degree of complexity. Besides potentially having many more electrons, they have three vibrational degrees of freedom (three normal modes) instead of the single one in a diatomic molecule. For asymmetric and bent triatomic molecules multiple modes can be excited, so the spectral bands may be congested in all forms of electronic spectra, including double ionisation. Double photoionisation spectra of H2O, H2S, HCN, CO2, N2O, OCS, CS2, BrCN, ICN, HgCl2, NO2, and SO2 are presented with analysis to identify the electronic states of the doubly charged ions. The order of the molecules in this chapter is set first by the number of valence electrons, then by the molecular weight.
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Capítulos de livros sobre o assunto "Asymmetric top molecule"

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Hüttner, W., e J. Demaison. "2 Asymmetric Top Molecules: Introduction". In Asymmetric Top Molecules. Part 3, 6–30. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14145-4_2.

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Hüttner, W., e J. Demaison. "2 Asymmetric Top Molecules: Introduction". In Asymmetric Top Molecules. Part 1, 6–30. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-10371-1_2.

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Hüttner, W., J. Demaison e J. Vogt. "2 Asymmetric Top Molecules: Introduction". In Asymmetric Top Molecules. Part 2, 6–30. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-10400-8_2.

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Lovegrove, Holly E., e Shane P. Herbert. "Time-Lapse Imaging of Asymmetric Spindle Positioning During Endothelial Tip Cell Division in Angiogenesis In Vivo". In Methods in Molecular Biology, 269–86. New York, NY: Springer US, 2024. https://doi.org/10.1007/978-1-0716-4224-5_19.

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AbstractThe branching of new blood vessels by angiogenesis is critical to the development, growth, and repair of most vertebrate tissues and is frequently dysregulated in disease. At its core, angiogenesis is driven by the collective migration of leading “tip” and follower “stalk” endothelial cells. Recent work reveals that this collective movement is coordinated by asymmetric tip cell divisions that generate daughters of distinct size, signaling capacity and tip-stalk behaviors. Polarized mitotic spindle positioning is critical to generating such asymmetries in daughter cell size. However, the spatiotemporal dynamics of vertebrate spindle movement are often difficult to explore using in vivo systems. Here we describe a method for the sample preparation, live-imaging and data analysis of endothelial cell mitotic spindle positioning in developing zebrafish embryos. This method enables single-cell and population-level spindle dynamics to be monitored and quantified, both in wild-type or genetically/pharmacologically perturbed embryos. Moreover, this approach can be easily adapted for live imaging of spindle dynamics in other zebrafish embryonic tissues that experience similar asymmetric divisions, such as the trunk neural crest.
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Ohtsuki, Yukiyoshi, Masataka Yoshida e Yuta Arakawa. "Optimal Control Approaches for Aligning/Orienting Asymmetric Top Molecules". In Springer Series in Chemical Physics, 65–79. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-03786-4_4.

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Veken, B. J. "Applications of Asymmetric Top Contour Simulation to Conformational Equilibria". In Structures and Conformations of Non-Rigid Molecules, 163–81. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-2074-6_8.

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Hüttner, W., e J. Demaison. "1 General Introduction". In Asymmetric Top Molecules. Part 3, 1–5. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14145-4_1.

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Vogt, J. "588 C6H4 1,3-Cyclohexadien-5-yne". In Asymmetric Top Molecules. Part 3, 39–40. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14145-4_10.

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Vogt, J. "678 C7H14FO2P Methylphosphonofluoridic acid cyclohexyl ester". In Asymmetric Top Molecules. Part 3, 178–79. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14145-4_100.

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Vogt, J. "679 C7H14O Heptanal". In Asymmetric Top Molecules. Part 3, 180–82. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14145-4_101.

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Trabalhos de conferências sobre o assunto "Asymmetric top molecule"

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Augenbraun, Benjamin, John Doyle, Tanya Zelevinsky, Ivan Kozyryev, Timothy Steimle e Ephriem Mengesha. "LASER-COOLABLE ASYMMETRIC TOP MOLECULES". In 2020 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2020. http://dx.doi.org/10.15278/isms.2020.rk05.

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Tutunnikov, Ilia, Emilien Prost, Uri Steinitz, Pierre Béjot, Edouard Hertz, Franck Billard, Olivier Faucher e Ilya Sh Averbukh. "Visualizing Coherent Molecular Rotation in a Gaseous Medium [1, 2]". In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 2022. http://dx.doi.org/10.1364/up.2022.tu4a.33.

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We present a study of a non-intrusive optical scheme for visualizing the rotational dynamics in an anisotropic molecular gas. The proposed optical method is promising for visualizing the rotations of symmetric- and asymmetric-top molecules.
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Holmegaard, Lotte, Simon S. Viftrup, Vinod Kumarappan, Christer Z. Bisgaard e Henrik Stapelfeldi. "Control of alignment dynamics of asymmetric top molecules". In 2007 European Conference on Lasers and Electro-Optics and the International Quantum Electronics Conference. IEEE, 2007. http://dx.doi.org/10.1109/cleoe-iqec.2007.4386355.

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Zhao, Haoran, e Martin Centurion. "COMPUTATIONAL STUDIES OF NONADIABATIC ALIGNMENT OF ASYMMETRIC TOP MOLECULES". In 2023 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2023. http://dx.doi.org/10.15278/isms.2023.6840.

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Zhao, Haoran, e Martin Centurion. "Simulation of Laser-induced Alignment of Asymmetric Top Molecules at High Temperature". In Frontiers in Optics. Washington, D.C.: Optica Publishing Group, 2023. http://dx.doi.org/10.1364/fio.2023.jtu5a.5.

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We simulate the rotational dynamics of asymmetric top molecules induced by femtosecond laser pulses. We use symmetries and parallelization to reduce computing cost and simulate dynamics at much higher initial temperature than previously possible. © 2023 Haoran Zhao, and Martin Centurion
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Xu, Long, Ilia Tutunnikov, Yehiam Prior e Ilya Sh Averbukh. "Long-lasting Orientation induced by Two-Color Femtosecond Laser Pulsesa". In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 2022. http://dx.doi.org/10.1364/up.2022.tu4a.34.

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Jensen, Per, Andrey Yachmenev, Sergei Yurchenko, Stephan Schlemmer e Hanno Schmiedt. "A SEMI-CLASSICAL APPROACH TO THE CALCULATION OF HIGHLY EXCITED ROTATIONAL ENERGIES FOR ASYMMETRIC-TOP MOLECULES". In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.mh01.

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Alexander, Ezra, Helen Leung e Mark Marshall. "A DISCRETE VARIABLE APPROACH FOR INVESTIGATING TUNNELING SPLITTINGS AND VIBRATIONAL WAVE FUNCTIONS IN RARE GAS-ASYMMETRIC TOP HETERODIMERS". In 2020 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2020. http://dx.doi.org/10.15278/isms.2020.mk09.

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Alexander, Ezra, Helen Leung e Mark Marshall. "A DISCRETE VARIABLE APPROACH FOR INVESTIGATING TUNNELING SPLITTINGS AND VIBRATIONAL WAVE FUNCTIONS IN RARE GAS-ASYMMETRIC TOP HETERODIMERS". In 2021 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2021. http://dx.doi.org/10.15278/isms.2021.wk07.

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Skalozub, A. S., e Artyom Y. Tsaune. "Quantum corrections to a semiclassical approximation for describing vibration-rotation spectra of nonrigid molecules: the example of an asymmetric top". In 12th Symposium and School on High Resolution Molecular Spectroscopy, editado por Leonid N. Sinitsa, Yurii N. Ponomarev e Valery I. Perevalov. SPIE, 1997. http://dx.doi.org/10.1117/12.267736.

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Relatórios de organizações sobre o assunto "Asymmetric top molecule"

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Ragunathan, Yoithapprabhunath Thuckanaickenpalayam, Srichinthu Kenniyan Kumar, Deepak Gupta, Diksha Singh, Swetha Pasupuleti e Madhavan Nirmal Ramdas. Effectiveness of Neoadjuvant Molecular-Targeted Chemotherapy in Ameloblastoma - A Systematic Review. INPLASY - International Platform of Registered Systematic Review and Meta-analysis Protocols, junho de 2022. http://dx.doi.org/10.37766/inplasy2022.6.0018.

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Review question / Objective: The aim of this article is to obtain an in-depth review of ameloblastoma tumor to determine the available level of evidence and the possible benefit of targeted therapeutics for the treatment of BRAF V600E mutation in ameloblastoma tumor. Condition being studied: Ameloblastoma is an epithelium-derived odontogenic tumour that evolved since the prehistoric era. Ameloblastoma is unique among the odontogenic neoplasms occurring in the jaws, because of its locally invasive behaviour and high recurrence rate. Facial asymmetry, displacement of teeth, malocclusion, and pathologic fractures are some of the asymmetrical features that ameloblastoma is known to cause. If left untreated, they often lead to wide tissue destruction and deformity. For the treatment of ameloblastomas, conventional chemotherapy and radiation have been unexplored or contraindicated and to date, wide surgical resection is the only treatment of choice for ameloblastoma tumours, resulting in post-treatment compromised quality of life in the individuals.
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Clabo, D. A. Jr. Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules. Office of Scientific and Technical Information (OSTI), abril de 1987. http://dx.doi.org/10.2172/6117857.

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