المؤلفون: Bayaer Buren, Maodu Chen

المصدر: Molecules; Volume 27; Issue 9; Pages: 2912

مصطلحات موضوعية: quantum wave packet method, inelastic scattering, cold collisions

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Computational and Theoretical Chemistry; https://dx.doi.org/10.3390/molecules27092912

الاتاحة: https://doi.org/10.3390/molecules27092912

المؤلفون: Hongyu Ma (212546), Chengyuan Zhang (6406037), Yuzhi Song (8910383), Fengcai Ma (3225195), Yongqing Li (301532)

مصطلحات موضوعية: Ecology, Sociology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Quantum Dynamics Calculation, many-body expansion method, X 1 Σ g, 2 P, H 2, PES, CH 2, aug-cc-pV 6Z basis, Accurate High-Level Ab Initio, time-dependent wave packet method, First Excited State, multireference configuration intera., ab initio energies, reaction probabilities increase mon.

Relation: https://figshare.com/articles/journal_contribution/Accurate_High-Level_i_Ab_Initio_i_-Based_Global_Potential_Energy_Surface_and_Quantum_Dynamics_Calculation_for_the_First_Excited_State_of_CH_sub_2_sub_sup_sup_/14798881

الاتاحة: https://doi.org/10.1021/acs.jpca.1c02413.s001

المؤلفون: Jayakrushna Sahoo (9584289), Ajay Mohan Singh Rawat (10672684), S. Mahapatra (1662895)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Ecology, Sociology, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, integral reaction, state distributions, reagent diatom, exoergic barrierless H, energy surface, Boltzmann vibrational distribution, vibrational modes, product energy disposal, translational modes, Energy Disposal Mechanism, collision energy, energy disposal, rovibrational excitation, PES, quasi-classical results, Theoretical Study, quantum state-to-state level mechanism, State-Resolved Quantum Dynamics, state-to-state level, translational energies, time-dependent wave packet method

Relation: https://figshare.com/articles/journal_contribution/Theoretical_Study_of_the_Energy_Disposal_Mechanism_and_the_State-Resolved_Quantum_Dynamics_of_the_H_LiH_sup_sup_H_sub_2_sub_Li_sup_sup_Reaction/14453062

الاتاحة: https://doi.org/10.1021/acs.jpca.1c01811.s001

المؤلفون: Elham Nour Ghassemi, Mark Wijzenbroek, Geert-Jan Kroes, M. F. Somers

المصدر: Chemical Physics Letters
Chemical Physics Letters, 683, 329–335

مصطلحات موضوعية: Quantum dynamics, General Physics and Astronomy, Quasi-classical trajectory method, 02 engineering and technology, Physics and Astronomy(all), 01 natural sciences, Molecular physics, Time-dependent wave packet method, Dissociation (chemistry), Dissociative chemisorption, 0103 physical sciences, Physical and Theoretical Chemistry, functional theory, 010304 chemical physics, Chemistry, Specific reaction parameter density, Rotational–vibrational spectroscopy, 021001 nanoscience & nanotechnology, Reaction dynamics, Molecular beam sticking measurements, Density functional theory, Atomic physics, 0210 nano-technology, Functional theory, Ground state

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c260107202c4244604c49ee7fdfe404d
https://doi.org/10.1016/j.cplett.2016.12.059

المؤلفون: Marie-Christine Bacchus-Montabonel, Ezinvi Baloïtcha, Michèle Desouter-Lecomte, Nathalie Vaeck

المصدر: International Journal of Molecular Sciences; Volume 3; Issue 3; Pages: 176-189

مصطلحات موضوعية: ion-atom collisions, wave packet method, rate coefficients

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry, Theoretical and Computational Chemistry; https://dx.doi.org/10.3390/i3030176

الاتاحة: https://doi.org/10.3390/i3030176

المؤلفون: Ren, Zefeng, Sun, Zhigang, Zhang, Donghui, Yang, Xueming

المساهمون: Zhang, DH, Yang, XM (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China., Yang, XM (reprint author), Univ Sci & Technol China, Ctr Adv Chem Phys, 96 Jinzhai Rd, Hefei 230026, Peoples R China., Yang, XM (reprint author), Univ Sci & Technol China, Frontier Ctr Quantum Sci & Technol 2011, 96 Jinzhai Rd, Hefei 230026, Peoples R China., Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China., Peking Univ, ICQM, Beijing 100871, Peoples R China., Peking Univ, Sch Phys, Beijing 100871, Peoples R China., Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China., Univ Sci & Technol China, Ctr Adv Chem Phys, 96 Jinzhai Rd, Hefei 230026, Peoples R China., Univ Sci & Technol China, Frontier Ctr Quantum Sci & Technol 2011, 96 Jinzhai Rd, Hefei 230026, Peoples R China.

المصدر: SCI

مصطلحات موضوعية: transition state, reactive resonance, Feshbach resonance, shape resonance, potential energy surface, crossed beam scattering, quantum wave-packet method, DIFFERENTIAL CROSS-SECTIONS, POTENTIAL-ENERGY SURFACE, WAVE-PACKET METHOD, TRANSITION-STATE SPECTROSCOPY, HYDROGEN-EXCHANGE REACTION, SCATTERING RESONANCES, BIMOLECULAR REACTIONS, F+H-2 REACTION, F PLUS, MOLECULAR-BEAM

Relation: REPORTS ON PROGRESS IN PHYSICS.2017,80(2).; 1910089; http://hdl.handle.net/20.500.11897/475542; WOS:000391575400001

الاتاحة: https://hdl.handle.net/20.500.11897/475542
https://doi.org/10.1088/1361-6633/80/2/026401

المؤلفون: Mustafa Kurban, Fahrettin Gogtas, Rukiye Tutuk

المصدر: Journal of Computational Chemistry. 31:2607-2611

مصطلحات موضوعية: Time Factors, Initial state, Wave packet, Rate constants, Quantum study, Molecular Dynamics Simulation, chemistry, rate constant, Reaction rate, Quantum wave packets, Fluorides, Cross section (physics), Molecular dynamics, Reaction rate constant, Wave packets, Total angular momentum quantum number, Time-dependent, Hydrogen Sulfide, reactive scattering, Nuclear Experiment, Adiabatic process, Reaction probability, Wave-packet method, time, Probability, Adiabatic potential energy surface, Integral cross-sections, Reaction cross-sections, Cross section, fluoride, reaction probabilities, Hydroxyl Radical, Chemistry, article, Light scattering, cross sections, Quantum mechanical, General Chemistry, molecular dynamics, Oxygen, Computational Mathematics, Potential energy surface, quantum wavepacket study, Quantum Theory, Atomic physics, Quantum chemistry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c71ee88019d49a69f9e840a476901d9
https://doi.org/10.1002/jcc.21555

المؤلفون: Kurban, Mustafa, Göğtaş, F., Karabulut, E., Tutuk, R.

مصطلحات موضوعية: cross-sections, reaction dynamics, reactive scattering, real wave packet method, wave packet study, Initial state, Integral cross-sections, Quantum dynamics, Quantum mechanical, Rate coefficients, Reaction cross-section, Reaction probability, Wave-packet method, Light scattering, Probability, Quantum chemistry, Rate constants, Waves, Wave packets

وصف الملف: application/pdf

Relation: Molecular Physics; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.1080/00268976.2011.554327; https://hdl.handle.net/20.500.12639/5056; 109; 789; 795; 2-s2.0-79952660808; WOS:000288010000015

الاتاحة: https://hdl.handle.net/20.500.12639/5056
https://doi.org/10.1080/00268976.2011.554327

المؤلفون: Li, Yaqin, Sun, Zhigang, Jiang, Bin, Xie, Daiqian, Dawes, Richard, Guo, Hua

المصدر: Chemistry Faculty Research & Creative Works

مصطلحات موضوعية: Isotopes, Lasers, Masers, Potential energy surfaces, Temperature distribution, Ab initio potential energy surface, Exchange reaction, Isotope exchange reactions, Kinetics and dynamics, Negative temperatures, Rate coefficients, Rotational excited state, Time-dependent wave packet method, Quantum chemistry, Chemistry, Numerical Analysis and Scientific Computing

وصف الملف: application/pdf

Relation: https://scholarsmine.mst.edu/chem_facwork/2131; https://scholarsmine.mst.edu/cgi/viewcontent.cgi?article=3130&context=chem_facwork

الاتاحة: https://scholarsmine.mst.edu/chem_facwork/2131
https://scholarsmine.mst.edu/cgi/viewcontent.cgi?article=3130&context=chem_facwork

المؤلفون: Koshioka, Yasuhiro, Tani, Yasuhiro, Yoshida, Shigeo

المصدر: 航空宇宙技術研究所特別資料 = Special Publication of National Aerospace Laboratory. 36:37-40

مصطلحات موضوعية: 遷移予測, supersonic boundary layer, linear stability theory, 後退翼モデル, 超音速境界層, 波束法, three dimensional disturbance, 圧縮性境界層, 後退角, 安定性解析, stability analysis, transition prediction, compressible boundary layer, 風洞試験, 3次元擾乱, wave packet method, swept wing model, 線形安定性理論, sweep angle, wind tunnel test

URL الوصول: https://explore.openaire.eu/search/publication?articleId=jairo_______::473a07aaf618c01bbe19260406f77653
http://id.nii.ac.jp/1696/00037094/

المؤلفون: Stuart C. Althorpe, Marko T. Cvitaš

مصطلحات موضوعية: Physics, Scattering, Wave packet, Quantum dynamics, Mathematical analysis, General Physics and Astronomy, Propagator, Decoupling (cosmology), Chebyshev filter, Quantum mechanics, Partition (number theory), discrete variable representation, independent wavepacket-schrodinger, lippmann-schwinger equations, differential cross-sections, coupled quantum dynamics, wave-packet method, AB plus CD, reaction probabilities, derivation, molecules, Physical and Theoretical Chemistry, Coordinate space

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9e8e5600314cff97c887590653ff803
https://www.bib.irb.hr/1011932

المؤلفون: Li, Anyang, Xie, Daiqian, Dawes, Richard, Jasper, Ahren W., Ma, Jianyi, Guo, Hua

المصدر: Chemistry Faculty Research & Creative Works

مصطلحات موضوعية: Ab initio, Ab initio study, Basis sets, Complete basis set limit, Global potential energy surfaces, Moving least squares, Multi reference configuration interactions, Reaction dynamics, Vibrational energy levels, Vibrational features, Wave-packet method, Potential energy, Potential energy surfaces, Quantum chemistry, Sulfur compounds, Excited states, Chemistry

Relation: https://scholarsmine.mst.edu/chem_facwork/383; https://doi.org/10.1063/1.3490642

الاتاحة: https://scholarsmine.mst.edu/chem_facwork/383
https://doi.org/10.1063/1.3490642

المؤلفون: Kurban, M., Gogtas, F., Karabulut, E., Tutuk, R.

مصطلحات موضوعية: wave packet study, reaction dynamics, reactive scattering, cross-sections, real wave packet method

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______9656::e8a7e204dbad949de791a8be83825993
https://hdl.handle.net/20.500.12639/1014

المؤلفون: Kurban, Mustafa, Gogtas, Fahrettin, Karabulut, Ezman, Tutuk, Rukiye

مصطلحات موضوعية: wave packet study, reaction dynamics, reactive scattering, cross-sections, real wave packet method

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______9656::776bee219dc1c3378f16e045879f7100
https://hdl.handle.net/20.500.12639/951

المؤلفون: Maslov, Anatoly, Grigoriev, Youri G.

المساهمون: RUSSIAN ACADEMY OF SCIENCES NOVOSIBIRSK INST OF THEORETICAL AND APPLIED MECHANICS

المصدر: DTIC

مصطلحات موضوعية: Electricity and Magnetism, Fluid Mechanics, ELECTROMAGNETIC FIELDS, BOUNDARY LAYER, COMPUTATIONS, THEORY, TURBULENT FLOW, FREQUENCY BANDS, STANDARDS, RUSSIA, TRANSITIONS, MACH NUMBER, BOUNDARY LAYER TRANSITION, HYPERSONIC CHARACTERISTICS, ANGLE OF INCIDENCE, LAMINAR FLOW, NOSE TIPS, WAVES, BLUNT BODIES, HOT WIRE ANEMOMETERS, WAVE PACKETS, BOUNDARY LAYER FLOW, HYPERSONIC FLOW, EXPERIMENTAL DATA, APPLIED MECHANICS, STABILITY, FOREIGN REPORTS, HYPERSONIC BOUNDARY LAYERS, TURBULENT BOUNDARY LAYERS, ARTIFICIAL WAVE-PACKET METHOD

وصف الملف: text/html

Relation: http://www.dtic.mil/docs/citations/ADA512151

الاتاحة: http://www.dtic.mil/docs/citations/ADA512151
http://oai.dtic.mil/oai/oai?&verb=getRecord&metadataPrefix=html&identifier=ADA512151

المؤلفون: 李巍, 屈军艳, 赵新生

المساهمون: 北京大学分子动态与稳态结构国家重点实验室及物理化学研究所, 北京大学分子动态与稳态结构国家重点实验室及物理化学研究所 北京100871, 北京100871

المصدر: 万方 ; 知网 ; SCI

مصطلحات موضوعية: Ar2H+, vibrational spectra, spectral assignment, time-dependent wave packet method, 振动光谱, 光谱指认, 含时波包演化

Relation: 化学物理学报.2002,(03),188-192.; 765855; http://hdl.handle.net/20.500.11897/83877; WOS:000179285600007

الاتاحة: https://hdl.handle.net/20.500.11897/83877
https://doi.org/10.3969/j.issn.1674-0068.2002.03.007

المؤلفون: Brook, R. Glenn, Oppenheimera, Paul E., Weatherford, Charles A., Banicescu, Ioana, Zhu, Jianping

المصدر: Mathematics Faculty Publications

مصطلحات موضوعية: Hydrodynamic formulation, Quantum mechanics, Parallel MLS algorithm, Wave-packet method, Mathematics, Physical Chemistry

Relation: https://engagedscholarship.csuohio.edu/scimath_facpub/60; http://www.sciencedirect.com/science/article/pii/S0166128002002282

الاتاحة: https://engagedscholarship.csuohio.edu/scimath_facpub/60
https://doi.org/10.1016/S0166-1280(02)00228-2
http://www.sciencedirect.com/science/article/pii/S0166128002002282

المؤلفون: Archubi, C.D., Arista, N.R.

مصطلحات موضوعية: Energy dissipation, Inverse problems, Ionization, Energy straggling, Gaussian functions, High energy regions, Inelastic interaction, Ionization cross section, Momentum distributions, Wave packet models, Wave-packet method, Wave packets

Relation: http://hdl.handle.net/20.500.12110/paper_24699926_v96_n6_p_Archubi

الاتاحة: https://hdl.handle.net/20.500.12110/paper_24699926_v96_n6_p_Archubi

المؤلفون: Archubi, C.D., Arista, N.R.

مصطلحات موضوعية: Alumina, Aluminum oxide, Electron gas, Electrons, Energy dissipation, Molecules, Silica, Wave packets, Free electron gas, Hydrogen molecule, Ionization cross section, Molecular projectiles, Quantum correction, Valence electron, Wave packet models, Wave-packet method, Ionization of gases

Relation: http://hdl.handle.net/20.500.12110/paper_24699926_v99_n3_p_Archubi

الاتاحة: https://hdl.handle.net/20.500.12110/paper_24699926_v99_n3_p_Archubi

مصطلحات موضوعية: Alumina, Aluminum oxide, Electron gas, Electrons, Energy dissipation, Molecules, Silica, Wave packets, Free electron gas, Hydrogen molecule, Ionization cross section, Molecular projectiles, Quantum correction, Valence electron, Wave packet models, Wave-packet method, Ionization of gases

Relation: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_24699926_v99_n3_p_Archubi; http://hdl.handle.net/20.500.12110/paper_24699926_v99_n3_p_Archubi

الاتاحة: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_24699926_v99_n3_p_Archubi
https://hdl.handle.net/20.500.12110/paper_24699926_v99_n3_p_Archubi