Results 211 to 220 of about 22,597 (261)

Impact of halogenation on scaffold toxicity assessed using HD-GEM machine learning model. [PDF]

Brief Bioinform
Boya BR, Lee JH, Choi JM, Lee J.
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Integrative Computational and Transcriptional Analysis of NF-κB and HIF-1α Modulation Following Doxorubicin Treatment in Triple-Negative Breast Cancer Cells. [PDF]

J Exp Pharmacol
Utami N, Setiawansyah A, Bashari MH, Usman HA, Azhar RY, Khairani AF.   +5 more
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Strain-driven domain wall network with chiral junctions in an antiferromagnet. [PDF]

Nat Commun
Saxena V, Gutzeit M, Rodríguez-Sota A, Haldar S, Zahner F, Wiesendanger R, Kubetzka A, Heinze S, von Bergmann K.   +8 more
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Perturbation theory for the triple-well anharmonic oscillator

Journal of Physics A: Mathematical and General, 1982
In this short paper the one-dimensional Schrödinger equation is considered. Applying perturbation theory at large order some development of the previous results given in part I [the authors, ibid. 15, 3481-3490 (1982; Zbl 0513.70024)] is obtained.
Damburg, R. J., Propin, R. Kh.
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The Laplace Transform Perturbative Triples Correction Ansatz

Collection of Czechoslovak Chemical Communications, 2003
We describe the implementation of the spin-unrestricted Laplace transform fourth-order perturbative triples correction. A reduction in the computational scaling with respect to canonical implementations is attained without relying on the large molecule asymptote.
Pere Constans, Gustavo E. Scuseria
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Perturbed angular correlation of triple gamma cascade

Acta Physica Academiae Scientiarum Hungaricae, 1966
The angular correlation function is derived for a triple gamma cascade perturbed by extranuclear field. Special cases are investigated for non-observed intermediate radiation and for static external magnetic field.
Gy. Bencze, J. Zimányi
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Perturbative triple and quadruple excitation corrections to MRCISD

Chemical Physics Letters, 2003
Abstract A non-iterative approximation to the effects of triple and quadruple excitations in the framework of the multireference configuration interaction method, including single and double excitations (MRCISD), for molecular electronic structure is suggested.
Yuriy G. Khait, Jie Song, Mark R. Hoffmann   +2 more
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Interchange Theorems for Triple Perturbation Theory

The Journal of Chemical Physics, 1971
Based on Rayleigh–Schrödinger perturbation theory, eight general expressions of the triple perturbation energy εn,m,t are derived. The relationships among them give several general interchange theorems in a compact fashion. These interchange theorems exchange the integrals involving higher-order perturbed wavefunctions related to a complicated ...
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