Works matching DE "POLYATOMIC molecules"

Results: 298

Using Gas Molecules to Assemble Value‐Added Materials through Dynamic Gas‐Bridged Bond.

Published in:

Macromolecular Rapid Communications, 2025, v. 46, n. 10, p. 1, doi. 10.1002/marc.202500053

By:

Liang, Xin;
Wang, Yangyang;
Wang, Yixin;
Yan, Qiang

Publication type:

Article

QCT study of the vibrational and translational role in the H + C2H6(ν1, ν2, ν5, ν7, ν9 and ν10) reactions.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2504-4

By:

Espinosa-Garcia, J.;
Calle-Cancho, J.;
Corchado, J. C.

Publication type:

Article

Prediction of phonon properties of 1D polyatomic systems using concurrent atomistic-continuum simulation.

Published in:

Archive of Applied Mechanics, 2014, v. 84, n. 9-11, p. 1665, doi. 10.1007/s00419-014-0880-8

By:

Xiong, Liming;
Chen, Xiang;
Zhang, Ning;
McDowell, David;
Chen, Youping

Publication type:

Article

A nonlocal constitutive model generated by matrix functions for polyatomic periodic linear chains.

Published in:

Archive of Applied Mechanics, 2014, v. 84, n. 9-11, p. 1477, doi. 10.1007/s00419-014-0905-3

By:

Michelitsch, Thomas;
Collet, Bernard

Publication type:

Article

Convergence estimates of a semi-Lagrangian scheme for the ellipsoidal BGK model for polyatomic molecules.

Published in:

ESAIM: Mathematical Modelling & Numerical Analysis (ESAIM: M2AN), 2022, v. 56, n. 3, p. 893, doi. 10.1051/m2an/2022022

By:

Boscarino, Sebastiano;
Cho, Seung Yeon;
Russo, Giovanni;
Yun, Seok-Bae

Publication type:

Article

Rate constant of VT/ VV energy exchange in the collision of di- and polyatomic molecules within the SFO model.

Published in:

High Temperature, 2016, v. 54, n. 1, p. 68, doi. 10.1134/S0018151X16010132

By:

Tsyganov, D.

Publication type:

Article

The effect of condensation coefficient on the parameters of flow in problems on strong re-condensation.

Published in:

High Temperature, 2008, v. 46, n. 3, p. 381, doi. 10.1134/S0018151X08030140

By:

Butkovskii, A.

Publication type:

Article

Reconstructing real-space geometries of polyatomic molecules undergoing strong field laser-induced Coulomb explosion.

Published in:

Communications Physics, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42005-024-01863-8

By:

Ashrafi-Belgabad, Aydin;
Karimi, Reza;
Monfared, Mohammad;
Tian, Kaili;
Parvin, Parviz;
Wales, Benji;
Bisson, Éric;
Beaulieu, Samuel;
Giguère, Mathieu;
Kieffer, Jean-Claude;
Lassonde, Philippe;
Légaré, François;
Ibrahim, Heide;
Sanderson, Joseph H.

Publication type:

Article

Reconstructing real-space geometries of polyatomic molecules undergoing strong field laser-induced Coulomb explosion.

Published in:

Communications Physics, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42005-024-01863-8

By:

Ashrafi-Belgabad, Aydin;
Karimi, Reza;
Monfared, Mohammad;
Tian, Kaili;
Parvin, Parviz;
Wales, Benji;
Bisson, Éric;
Beaulieu, Samuel;
Giguère, Mathieu;
Kieffer, Jean-Claude;
Lassonde, Philippe;
Légaré, François;
Ibrahim, Heide;
Sanderson, Joseph H.

Publication type:

Article

Collisional Energy Transfer in Polyatomic Molecules in the Gas Phase.

Published in:

Israel Journal of Chemistry, 2007, v. 47, n. 2, p. 205, doi. 10.1560/IJC.47.2.205

By:

Bernshtein, Victor;
Oref, Izhack

Publication type:

Article

Fast Counting Research of Escherichia coil in Water Based on Salicylic Acid Culture Solution by High Performance Liquid Chromatography.

Published in:

Meteorological & Environmental Research, 2013, v. 4, n. 9, p. 34

By:

Wei Liang;
Zhaoyu Mo;
Baoying Lv;
Yanxian Nong

Publication type:

Article

Theoretical formulation of chemical equilibrium under vibrational strong coupling.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46442-1

By:

Sun, Kaihong;
Ribeiro, Raphael F.

Publication type:

Article

Attosecond delays between dissociative and non-dissociative ionization of polyatomic molecules.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-40120-4

By:

Gong, Xiaochun;
Plésiat, Étienne;
Palacios, Alicia;
Heck, Saijoscha;
Martín, Fernando;
Wörner, Hans Jakob

Publication type:

Article

Revisit of rotational motion of axial poly-atomics by molecular dynamics simulation and group theory: liquid benzene at 298, 365, 432, 498, 562 K.

Published in:

Molecular Physics, 2012, v. 110, n. 18, p. 2269, doi. 10.1080/00268976.2012.674570

By:

Rothschild, Walter G.

Publication type:

Article

On the kinetic modeling of electron attachment to polyatomic molecules.

Published in:

Molecular Physics, 2012, v. 110, n. 15/16, p. 1627, doi. 10.1080/00268976.2012.663941

By:

Nikitin, E.E.;
Troe, J.

Publication type:

Article

Three-dimensional laser alignment of polyatomic molecular ensembles.

Published in:

Molecular Physics, 2012, v. 110, n. 9/10, p. 885, doi. 10.1080/00268976.2012.680514

By:

Artamonov, Maxim;
Seideman, Tamar

Publication type:

Article

A new algorithm for the evaluation of the global hardness of polyatomic molecules.

Published in:

Molecular Physics, 2011, v. 109, n. 6, p. 917, doi. 10.1080/00268976.2011.558856

By:

Islam, Nazmul;
Chandra Ghosh, Dulal

Publication type:

Article

New efficient algorithm for the calculation of energy levels of AB3 type molecules.

Published in:

Molecular Physics, 2011, v. 109, n. 3, p. 483, doi. 10.1080/00268976.2010.531297

By:

Nikitin, Andrei V.

Publication type:

Article

Photofragment angular momentum distributions from oriented and aligned polyatomic molecules: beyond the axial recoil limit.

Published in:

Molecular Physics, 2010, v. 108, n. 7-9, p. 937, doi. 10.1080/00268970903580158

By:

Rakitzis, T. Peter;
Janssen, Maurice H. M.

Publication type:

Article

Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections.

Published in:

Molecular Physics, 2009, v. 107, n. 3, p. 213, doi. 10.1080/00268970902769463

By:

Matthews, Devin A.;
Stanton, John F.

Publication type:

Article

Vibrational spectroscopy of Cm-H, Cβ-Cβ stretching vibrations of Nickel metalloporphyrins: An algebraic approach.

Published in:

Molecular Physics, 2008, v. 106, n. 14, p. 1733, doi. 10.1080/00268970802248998

By:

Karumuri, Srinivasa Rao;
Sarkar, Nirmal Kumar;
Choudhury, Joydeep;
Bhattacharjee, Ramendu

Publication type:

Article

A new proof of the molecular Hamiltonian in Radau coordinates for triatomic molecules based on tensor form.

Published in:

Molecular Physics, 2008, v. 106, n. 5, p. 643, doi. 10.1080/00268970801898512

By:

Ebrahimi, H.;
Tafazzoli, M.

Publication type:

Article

Force calculation of polyatomic molecules in quantum Monte Carlo using Pulay's corrections.

Published in:

Molecular Physics, 2007, v. 105, n. 19-22, p. 2493, doi. 10.1080/00268970701537947

By:

Myung Won Lee;
Levchenko, Sergey V.;
Rappe, Andrew M.

Publication type:

Article

Quantum computation with vibrationally excited polyatomic molecules: effects of rotation, level structure, and field gradients.

Published in:

Molecular Physics, 2007, v. 105, n. 13/14, p. 1999, doi. 10.1080/00268970701504335

By:

Weidinger, Daniel;
Gruebele, Martin

Publication type:

Article

The molecular Hamiltonian in Jacobi coordinates.

Published in:

Molecular Physics, 2006, v. 104, n. 12, p. 1879, doi. 10.1080/00268970600634159

By:

Islampour, R.;
Gharibi, M.;
Miralinaghi, M.

Publication type:

Article

Theory of coherent thermal photoinduced electron transfer reactions in polyatomic molecules.

Published in:

Molecular Physics, 2006, v. 104, n. 1, p. 11, doi. 10.1080/00268970500373346

By:

Ianconescu, Reuven;
Pollak, Eli

Publication type:

Article

Cavity-bias sampling in reaction ensemble Monte Carlo simulations.

Published in:

Molecular Physics, 2005, v. 103, n. 19, p. 2647, doi. 10.1080/00268970500181004

By:

Brennan, J. K.

Publication type:

Article

R-matrix theory of electron molecule scattering.

Published in:

Molecular Physics, 2005, v. 103, n. 18, p. 2537, doi. 10.1080/00268970500180105

By:

Burke, P. G.;
Tennyson, J.

Publication type:

Article

Accurate equilibrium structures for small polyatomic molecules, radicals and carbenes.

Published in:

Molecular Physics, 2005, v. 103, n. 10, p. 1441, doi. 10.1080/00268970500070116

By:

Botschwina, Peter

Publication type:

Article

The molecular Hamiltonian in internal coordinates.

Published in:

Molecular Physics, 2005, v. 103, n. 10, p. 1425, doi. 10.1080/00268970500070298

By:

Islampour, R.;
Ebrahimi, H.

Publication type:

Article

Anharmonic force fields and thermodynamic functions using density functional theory.

Published in:

Molecular Physics, 2005, v. 103, n. 6-8, p. 863, doi. 10.1080/00268970512331339369

By:

Boese, A. Daniel;
Klopper, Wim;
Martin, Jan M. L.

Publication type:

Article

Effects of large-amplitude torsions on partition functions: beyond the conventional separability assumption.

Published in:

Molecular Physics, 2005, v. 103, n. 6-8, p. 1027, doi. 10.1080/00268970412331333627

By:

Wong, B. M.;
Green, W. H.

Publication type:

Article

Low-energy unphysical saddle in polynomial molecular potentials.

Published in:

Molecular Physics, 2005, v. 103, n. 5, p. 689, doi. 10.1080/00268970412331332114

By:

Del Monte, Alessio;
Manini, Nicola;
Molinari, Luca Guido;
Paolo Brivio, Gian

Publication type:

Article

Entropy descriptors of the chemical bond in information theory. II. Applications to simple orbital models.

Published in:

Molecular Physics, 2004, v. 102, n. 6, p. 547, doi. 10.1080/00268970410001675572

By:

Nalewajski, Roman F.

Publication type:

Article

A model for viscosity coefficients of gases with potentials differing in form.

Published in:

Molecular Physics, 2003, v. 101, n. 19, p. 2997, doi. 10.1080/00268970310001605732

By:

del Río, Fernando;
Ibarra, Benjamín;
Luis Mier Y Ter&aacute, n

Publication type:

Article

Franck-Condon factors for polyatomic molecules.

Published in:

Molecular Physics, 2003, v. 101, n. 13, p. 2125, doi. 10.1080/0026897031000109310

By:

Weber, Johannes;
Hohlneicher, Georg

Publication type:

Article

APPLICATION OF U(2) ALGEBRAIC MODEL IN THE STUDY OF STRETCHING VIBRATIONAL SPECTRA OF C50 AND C84 FULLERENES.

Published in:

Armenian Journal of Physics, 2011, v. 4, n. 1, p. 49

By:

Kalyan, Ashim;
Sen, Rupam;
Choudhury, Joydeep;
Kumar Sarkar, Nirmal;
Bhattacharjee, Ramendu

Publication type:

Article

Insights into Associating Fluid Properties and Microstructure from Classical Density Functional Theory.

Published in:

Journal of Statistical Physics, 2011, v. 145, n. 2, p. 467, doi. 10.1007/s10955-011-0263-2

By:

Feng, Zhengzheng;
Bymaster, Adam;
Emborsky, Chris;
Ballal, Deepti;
Marshall, Bennett;
Gong, Kai;
Garcia, Alejandro;
Cox, Kenneth;
Chapman, Walter

Publication type:

Article

Correspondence between the reaction force minimum and the onset of abrupt variations of the kinetic and potential energies in bond dissociation and formation.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 9, p. 1, doi. 10.1007/s00894-024-06101-0

By:

Politzer, Peter;
Gutiérrez-Oliva, Soledad;
Clark, Timothy;
Murray, Jane S.

Publication type:

Article

Synthesis and properties of some polyaminobis maleimides thermal and mechanical characterization.

Published in:

e-Polymers, 2008, p. 1

By:

Sava, Mitica;
Vlad, Stelian

Publication type:

Article

Dehydration of solids in different modes as a proof of their primary congruent dissociative vaporization.

Published in:

Journal of Thermal Analysis & Calorimetry, 2006, v. 84, n. 3, p. 581, doi. 10.1007/s10973-005-9992-2

By:

L'vov, B. V.

Publication type:

Article

Sensing the ortho Positions in C 6 Cl 6 and C 6 H 4 Cl 2 from Cl 2 − Formation upon Molecular Reduction.

Published in:

Molecules, 2022, v. 27, n. 15, p. 4820, doi. 10.3390/molecules27154820

By:

Kumar, Sarvesh;
Romero, José;
Probst, Michael;
Maihom, Thana;
García, Gustavo;
Limão-Vieira, Paulo

Publication type:

Article

Complexes with Atomic Gold Ions: Efficient Bis-Ligand Formation.

Published in:

Molecules, 2021, v. 26, n. 12, p. 3484, doi. 10.3390/molecules26123484

By:

Duensing, Felix;
Gruber, Elisabeth;
Martini, Paul;
Goulart, Marcelo;
Gatchell, Michael;
Rasul, Bilal;
Echt, Olof;
Zappa, Fabio;
Mahmoodi-Darian, Masoomeh;
Scheier, Paul

Publication type:

Article

Reduced-Dimensionality Quantum Dynamics Study of the 3Fe(CO)4 + H2 → 1FeH2(CO)4 Spin-inversion Reaction.

Published in:

Molecules, 2020, v. 25, n. 4, p. 882, doi. 10.3390/molecules25040882

By:

Takayanagi, Toshiyuki;
Watabe, Yuya;
Miyazaki, Takaaki;
Ovchinnikov, Sergey G.

Publication type:

Article

Differential Binding of Tetrel-Bonding Bipodal Receptors to Monatomic and Polyatomic Anions.

Published in:

Molecules, 2019, v. 24, n. 2, p. 227, doi. 10.3390/molecules24020227

By:

Scheiner, Steve

Publication type:

Article

Collisional Depolarization of Luminescence of Polyatomic Molecules with Internal Rotations.

Published in:

Journal of Applied Spectroscopy, 2021, v. 88, n. 5, p. 935, doi. 10.1007/s10812-021-01262-9

By:

Blokhin, A. P.

Publication type:

Article

Possible Simplification of the Algorithm for Calculating Electronic-Vibrational Energy Levels of Polyatomic Molecules in Natural Coordinates with Averaging of the Kinetic Energy Operator.

Published in:

Journal of Applied Spectroscopy, 2020, v. 87, n. 2, p. 345, doi. 10.1007/s10812-020-01005-2

By:

Gribov, L. A.

Publication type:

Article

Revisiting Separation of Vibrations and Rotations in the Theory of Molecular Spectra.

Published in:

Journal of Applied Spectroscopy, 2019, v. 86, n. 2, p. 317, doi. 10.1007/s10812-019-00819-z

By:

Gribov, L. A.

Publication type:

Article

A Simple Mathematical Model of Optical Spectra of Polyatomic Molecules.

Published in:

Journal of Applied Spectroscopy, 2019, v. 85, n. 6, p. 1128, doi. 10.1007/s10812-019-00769-6

By:

Gribov, L. A.

Publication type:

Article

Effect of Intramolecular Rotation on Collisional Luminescence Depolarization of Polyatomic Molecules.

Published in:

Journal of Applied Spectroscopy, 2015, v. 81, n. 6, p. 930, doi. 10.1007/s10812-015-0031-1

By:

Blokhin, A.;
Tolkachev, V.

Publication type:

Article