Works matching DE "DIATOMIC molecules"

Results: 625

A Cost-Effective Treatment of Spin–Orbit Couplings in the State-Averaged Driven Similarity Renormalization Group Second-Order Perturbation Theory.

Published in:

Molecules, 2025, v. 30, n. 9, p. 2082, doi. 10.3390/molecules30092082

By:

Wang, Meng;
Li, Chenyang

Publication type:

Article

Topological defects on the q-deformed superstatistics of modified shifted morse potential for carbon monoxide molecule.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2025, v. 39, n. 16, p. 1, doi. 10.1142/S0217979225501413

By:

Okorie, Uduakobong S.;
Rampho, Gaotsiwe J.;
Ramantswana, Morris;
Ikot, Akpan N.

Publication type:

Article

KINETIC MODEL OF PHOSPHOFRUCTOKINASE-1 FROM ESCHERICHIA COLI.

Published in:

Journal of Bioinformatics & Computational Biology, 2008, v. 6, n. 4, p. 843, doi. 10.1142/S0219720008003643

By:

PESKOV, KIRILL;
GORYANIN, IGOR;
DEMIN, OLEG

Publication type:

Article

Multiple Bonding in AeN− (Ae=Ca, Sr, Ba).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 34, p. 1, doi. 10.1002/chem.202400714

By:

Cui, Li‐Juan;
Liu, Yu‐Qian;
Wang, Meng‐Hui;
Yan, Bing;
Pan, Sudip;
Cui, Zhong‐Hua;
Frenking, Gernot

Publication type:

Article

Hydrogen‐Bonded Complex of the Parent Phosphinidene.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 27, p. 1, doi. 10.1002/chem.202400490

By:

Jiang, Junjie;
Fang, Wei;
Lu, Bo;
Li, Weixing;
Yu, Qi;
Zeng, Xiaoqing

Publication type:

Article

Quest of Quadruple Bonding Between Two Main‐Group Atoms in AeB− and AeC (Ae=Ca, Sr, Ba) and the Role of d Orbitals of Heavier Alkaline‐Earth Atoms in Covalent Interactions.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 30, p. 1, doi. 10.1002/chem.202300446

By:

Liu, Yu‐qian;
Wang, Meng‐hui;
Yan, Bing;
Li, Lu;
Pan, Sudip;
Cui, Zhong‐hua;
Frenking, Gernot

Publication type:

Article

Observation and Characterization of the Hg‐O Diatomic Molecule: A Matrix‐Isolation and Quantum‐Chemical Investigation.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 7, p. 1, doi. 10.1002/chem.202202740

By:

Andrews, Lester S.;
Tsegaw, Yetsedaw A.;
Cho, Han‐Gook;
Riedel, Sebastian

Publication type:

Article

Critical Comments on 'One Molecule, Two Atoms, Three Views, Four Bonds?'.

Published in:

Angewandte Chemie, 2013, v. 125, n. 23, p. 6036, doi. 10.1002/ange.201301485

By:

Frenking, Gernot;
Hermann, Markus

Publication type:

Article

Permanent electric dipole moment of diatomic molecules using relativistic extended–coupled–cluster method.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 5, p. 1, doi. 10.1007/s00214-024-03117-w

By:

Buragohain, Haimyapriya;
Talukdar, Kaushik;
Nayak, Malaya K.

Publication type:

Article

Accuracy of electronic density calculated using an optimally tuned range-separated hybrid functional.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 1, p. 1, doi. 10.1007/s00214-022-02952-z

By:

Sarkar, Soumyajit

Publication type:

Article

Spectroscopic properties of diatomic molecules CdI and CsCd: ab initio calculations.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 8, p. N.PAG, doi. 10.1007/s00214-020-02648-2

By:

Kozáková, Silvia;
Černušák, Ivan

Publication type:

Article

Current iodinated contrast media.

Published in:

2001

By:

Stacul, F.

Publication type:

journal article

HIGH ORDER NUMERICAL METHODS FOR HIGHLY OSCILLATORY PROBLEMS.

Published in:

ESAIM: Mathematical Modelling & Numerical Analysis (ESAIM: M2AN), 2015, v. 49, n. 3, p. 695, doi. 10.1051/m2an/2014056

By:

COHEN, DAVID;
SCHWEITZER, JULIA

Publication type:

Article

Description of rotational molecular spectra by means of an approach based on rational mechanics.

Published in:

ZAMM -- Journal of Applied Mathematics & Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik, 2007, v. 87, n. 2, p. 139, doi. 10.1002/zamm.200610308

By:

Ivanova, Elena A.;
Krivtsov, Anton M.;
Zhilin, Pavel A.

Publication type:

Article

Inelastic collisions of molecules within the SFO model.

Published in:

High Temperature, 2017, v. 55, n. 1, p. 63, doi. 10.1134/S0018151X17010229

By:

Tsyganov, D.

Publication type:

Article

The rate constant of diatomic molecule dissociation within the shock forced oscillator model (SFO model).

Published in:

High Temperature, 2014, v. 52, n. 4, p. 518, doi. 10.1134/S0018151X14030274

By:

Tsyganov, D.

Publication type:

Article

The shock forced oscillator model: A harmonic approximation.

Published in:

High Temperature, 2014, v. 52, n. 1, p. 48, doi. 10.1134/S0018151X13060205

By:

Tsyganov, D.

Publication type:

Article

Quantum chemical calculations of dissociation energies of a series of diatomic manganese compounds.

Published in:

High Temperature, 2011, v. 49, n. 4, p. 620, doi. 10.1134/S0018151X11040109

By:

Gusarov, A.;
Yorish, V.

Publication type:

Article

Molecular dynamics simulation of the rate of dissociation and of the time of vibrational relaxation of diatomic molecules.

Published in:

High Temperature, 2008, v. 46, n. 5, p. 604, doi. 10.1134/S0018151X08050039

By:

Kotov, D.;
Surzhikov, S.

Publication type:

Article

Potentials of internuclear interaction of diatomic molecules in planetary atmosphere.

Published in:

High Temperature, 2006, v. 44, n. 3, p. 373, doi. 10.1007/s10740-006-0047-6

By:

Alekhin, D.;
Klimov, D.;
Surzhikov, S.

Publication type:

Article

Approximate Solutions of N-Dimensional Klein-Gordon Equation with Yukawa Potential: Application to Diatomic molecules.

Published in:

FUPRE Journal of Scientific & Industrial Research, 2022, v. 6, n. 2, p. 17

By:

Umukoro, O. J.;
Nenuwe, O. N.

Publication type:

Article

Electric multipole moments of some diatomic molecules.

Published in:

Turkish Journal of Physics, 2009, v. 33, n. 3, p. 121, doi. 10.3906/fiz-0804-7

By:

SEZER, M. Özgür;
ÖZMEN, Ayhan;
YÜKSEL, Hüseyin

Publication type:

Article

Investigation of Mode Transition and Negative Ion Production in Helicon Plasma Source in Hydrogen Discharge.

Published in:

Plasma Physics Reports, 2022, v. 48, n. 1, p. 37, doi. 10.1134/S1063780X22010111

By:

Sharma, N.;
Chakraborty, M.;
Mukherjee, A.;
Saha, P. K.;
Neog, N. K.;
Bandyopadhyay, M.

Publication type:

Article

Ellipticity of High-Order Harmonics Generated by Aligned Homonuclear Diatomic Molecules Exposed to an Orthogonal Two-Color Laser Field.

Published in:

Photonics, 2020, v. 7, n. 4, p. 110, doi. 10.3390/photonics7040110

By:

Habibović, Dino;
Milošević, Dejan B.

Publication type:

Article

Genetic algorithm for obtaining potential energy curve of diatomic molecules based on dispersed fluorescence spectra.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-44488-7

By:

Urbańczyk, Tomasz;
Koperski, Jarosław;
Kaszewski, Gabriel;
Synak, Mikołaj;
Swenda, Jakub;
Krośnicki, Marek

Publication type:

Article

Genetic algorithm for obtaining potential energy curve of diatomic molecules based on dispersed fluorescence spectra.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-44488-7

By:

Urbańczyk, Tomasz;
Koperski, Jarosław;
Kaszewski, Gabriel;
Synak, Mikołaj;
Swenda, Jakub;
Krośnicki, Marek

Publication type:

Article

A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-37888-2

By:

Abu-Shady, M.;
Khokha, E. M.

Publication type:

Article

Pulse propagation in a linear and nonlinear diatomic periodic chain: effects of acoustic frequency band-gap.

Published in:

Acta Mechanica, 2009, v. 205, n. 1-4, p. 85, doi. 10.1007/s00707-009-0163-6

By:

Herbold, E. B.;
Kim, J.;
Nesterenko, V. F.;
Wang, S. Y.;
Daraio, C.

Publication type:

Article

Notizen aus der Chemie.

Published in:

Nachrichten aus der Chemie, 2022, v. 70, n. 12, p. 54, doi. 10.1002/nadc.20224132745

By:

Bande, Annika;
Delaittre, Guillaume;
Dierkes, Georg;
Heine, Johanna;
Hinz, Alexander;
Hoch, Constantin;
Jahn, Ullrich;
Kries, Hajo;
Meermann, Björn;
Tzschucke, Carl Christoph;
Zegke, Markus

Publication type:

Article

Ground-state decoherence of lithium atoms by diatomic polar molecules and noble-gas atoms.

Published in:

Applied Physics B: Lasers & Optics, 2023, v. 129, n. 7, p. 1, doi. 10.1007/s00340-023-08059-y

By:

Ishikawa, Kiyoshi;
Yamamoto, Mayu

Publication type:

Article

Influence of bicomponent Pd based catalysts on anthracene hydrogenation reaction.

Published in:

Research on Chemical Intermediates, 2024, v. 50, n. 4, p. 1603, doi. 10.1007/s11164-023-05226-w

By:

Bai, Lijun;
Wang, Mingyi;
Liu, Niudun;
Jia, Peng;
Wang, Junwen;
Wu, Ailian

Publication type:

Article

New semi-empirical computational analysis of catalytic reactions for automobile.

Published in:

Research on Chemical Intermediates, 2015, v. 41, n. 12, p. 9475, doi. 10.1007/s11164-015-1972-y

By:

Ikuta, Yasuhiro;
Nagai, Yasutaka;
Takahashi, Naoki

Publication type:

Article

Asymmetric gradient orbital interaction of hetero-diatomic active sites for promoting C − C coupling.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39580-5

By:

Wang, Jin Ming;
Zhu, Qin Yao;
Lee, Jeong Heon;
Woo, Tae Gyun;
Zhang, Yue Xing;
Jang, Woo-Dong;
Kim, Tae Kyu

Publication type:

Article

Fine structure of open-shell diatomic molecules in combined electric and magnetic fields.

Published in:

Molecular Physics, 2013, v. 111, n. 12/13, p. 1865, doi. 10.1080/00268976.2013.799296

By:

Gärttncr, Martin;
Omiste, Juan J.;
Schmelcher, Peter;
González-Férez, Rosario

Publication type:

Article

On the transverse confinement of radiatively slowed molecular beams.

Published in:

Molecular Physics, 2013, v. 111, n. 12/13, p. 1805, doi. 10.1080/00268976.2013.793833

By:

DcMille, D.;
Barry, J. F.;
Edwards, E. R.;
Norrgard, E. B.;
Steinecker, M. H.

Publication type:

Article

Interatomic potentials, electric properties and spectroscopy of the ground and excited states of the Rb2 molecule: ab initio calculations and effect of a non-resonant field.

Published in:

Molecular Physics, 2013, v. 111, n. 12/13, p. 1781, doi. 10.1080/00268976.2013.793835

By:

Tomza, Michaɫ;
Skomorowski, Wojciech;
Musial, Monika;
González-Férez, Rosario;
Koch, Christiane R.;
Moszynski, Robert

Publication type:

Article

Approximate l -state solution of the trigonometric Pöschl–Teller potential.

Published in:

Molecular Physics, 2012, v. 110, n. 24, p. 3031, doi. 10.1080/00268976.2012.695029

By:

Hamzavi, M.;
Ikhdair, S.M.

Publication type:

Article

A new Morse ring-shaped potential for diatomic molecules.

Published in:

Molecular Physics, 2012, v. 110, n. 18, p. 2173, doi. 10.1080/00268976.2012.668227

By:

Amirfakhrian, M.;
Hamzavi, M.

Publication type:

Article

Shortcuts for understanding rovibronic spectroscopy of ultracold alkali metal diatomic molecules.

Published in:

Molecular Physics, 2012, v. 110, n. 15/16, p. 1739, doi. 10.1080/00268976.2012.676680

By:

Stwalley, William C.;
Bellos, Michael;
Carollo, Ryan;
Banerjee, Jayita;
Bermudez, Matthew

Publication type:

Article

Distinguishing between aligned and randomly oriented polar molecules by using a combination of strong laser field with a weak static field.

Published in:

Molecular Physics, 2012, v. 110, n. 15/16, p. 1721, doi. 10.1080/00268976.2012.674565

By:

Moiseyev, Nimrod;
Gupta, Ashish Kumar

Publication type:

Article

Optimized effective potential for calculations with orbital-free potential functionals.

Published in:

Molecular Physics, 2012, v. 110, n. 9/10, p. 925, doi. 10.1080/00268976.2012.681310

By:

Peng, Degao;
Zhao, Bo;
Cohen, Aron J.;
Hu, Xiangqian;
Yang, Weitao

Publication type:

Article

The rotation–vibration spectrum of diatomic molecules with the Tietz–Hua rotating oscillator and approximation scheme to the centrifugal term.

Published in:

Molecular Physics, 2012, v. 110, n. 7, p. 389, doi. 10.1080/00268976.2011.648962

By:

Hamzavi, M.;
Rajabi, A.A.;
Hassanabadi, H.

Publication type:

Article

An analytic algebraic approach to study the influence of molecular alignment and orientation on multiphoton excitation in intense laser fields.

Published in:

Molecular Physics, 2011, v. 109, n. 22, p. 2633, doi. 10.1080/00268976.2011.627383

By:

Feng, Hairan;
Li, Peng;
Zheng, Yujun

Publication type:

Article

Application of explicitly correlated coupled-cluster methods to molecules containing post-3 d main group elements.

Published in:

Molecular Physics, 2011, v. 109, n. 22, p. 2607, doi. 10.1080/00268976.2011.624129

By:

Peterson, Kirk A.;
Krause, Christine;
Stoll, Hermann;
Hill, J. Grant;
Werner, Hans-Joachim

Publication type:

Article

FeP(Im)-AB bonding energies evaluated with a large number of density functionals (P = porphine, Im = imidazole, AB = CO, NO, and O2).

Published in:

Molecular Physics, 2011, v. 109, n. 16, p. 2035, doi. 10.1080/00268976.2011.609141

By:

Liao, Meng-Sheng;
Huang, Ming-Ju;
Watts, John D.

Publication type:

Article

Rotational symmetry and degeneracy: a cotangent-perturbed rigid rotator of unperturbed level multiplicity.

Published in:

Molecular Physics, 2011, v. 109, n. 11, p. 1477, doi. 10.1080/00268976.2011.565730

By:

Alvarez-Castillo, D. E.;
Compean, C. B.;
Kirchbach, M.

Publication type:

Article

Spin projected and improved energy states from unrestricted Hartree-Fock.

Published in:

Molecular Physics, 2011, v. 109, n. 11, p. 1495, doi. 10.1080/00268976.2011.566008

By:

Theophilou, Iris;
Thanos, S.

Publication type:

Article

Configuration interaction study including the effects of spin-orbit coupling for the electronic states of the LiX molecules (X = C, Si, Ge, Sn).

Published in:

Molecular Physics, 2011, v. 109, n. 6, p. 975, doi. 10.1080/00268976.2011.561810

By:

Rai-Constapel, Vidisha;
Liebermann, Heinz-Peter;
Alekseyev, Aleksey B.;
Buenker, Robert J.

Publication type:

Article

Unconventional semiclassical method for calculating the energetic values of diatomic molecules.

Published in:

Molecular Physics, 2011, v. 109, n. 4, p. 575, doi. 10.1080/00268976.2010.539988

By:

Popa, Alexandru

Publication type:

Article

Adding more weight to a molecular recognition unit: the low-frequency modes of carboxylic acid dimers.

Published in:

Molecular Physics, 2010, v. 108, n. 17, p. 2279, doi. 10.1080/00268976.2010.508600

By:

Zhifeng Xue;
Suhm, Martin A.

Publication type:

Article