نتایج جستجو برای: conformer

تعداد نتایج: 1433  

Journal: :The Journal of chemical physics 2005
Saumitra Saha Feng Wang Chantal T Falzon Michael J Brunger

The minimum-energy structures on the torsional potential-energy surface of 1,3-butadiene have been studied quantum mechanically using a range of models including ab initio Hartree-Fock and second-order Møller-Plesset theories, outer valence Green's function, and density-functional theory with a hybrid functional and statistical average orbital potential model in order to understand the binding-...

Journal: :Physical chemistry chemical physics : PCCP 2010
Jan Cz Dobrowolski Michał H Jamróz Robert Kołos Joanna E Rode Michał K Cyrański Joanna Sadlej

The IR low-temperature Ar and Kr matrix spectra of l-isoserine were registered for the first time and interpreted by means of the anharmonic DFT frequencies calculated at the B3LYP/aug-cc-pVTZ and B3LYP/aug-cc-pVDZ levels. 54 l-isoserine conformers were predicted to be stable at the B3LYP/aug-cc-pVDZ level. Population of the 8 most stable conformers was based on the QCISD/aug-cc-pVDZ energies, ...

Journal: :JOURNAL OF CLINICAL AND DIAGNOSTIC RESEARCH 2014

Journal: :Gitakan Arts'akh 2022

The article is aimed to represent Armenian automated speech recognition model and its applications in different fields of economy. Because the lack corpora, this we fine-tuned voice text symbol generating parts using a Conformer pre-trained compact language model. focuses attention readers on problem recognizing human transforming it text, especially for non-mainstream languages. paper prepared...

Journal: :The journal of physical chemistry. A 2013
Matthew K Sprague Laura A Mertens Heather N Widgren Mitchio Okumura Stanley P Sander Anne B McCoy

We report vibrational and electronic spectra of the hydroxy-methyl-peroxy radical (HOCH2OO(•) or HMP), which was formed as the primary product of the reaction of the hydroperoxy radical, HO2(•), and formaldehyde, HCHO. The ν1 vibrational (OH stretch) spectrum and the à ← X̃ electronic spectrum of HMP were detected by infrared cavity ringdown spectroscopy (IR-CRDS), and assignments were verified ...

Journal: :Journal of physics 2022

Abstract The quality of speech separation affects the entire technology ecosystem. Aiming at problems low utilization local feature information, insufficient convergence speed, too many calculation parameters and long time in blind source view Transformer dual-path cyclic neural network, a model based on fusion Conformer NBC (Narrow-band NBC) is proposed. First, for information block replaced b...

Journal: :Journal of Physical Organic Chemistry 2022

In this work, we present absorption, emission, and excitation of emission spectra all-trans-DPH obtained in solution between 77 363 K. The analysis these allows to evaluate that molecular probe, widely used biophysics, does not isomerizes s-cis-DPH at the temperatures explored. These results are contradiction those reported by previous studies emphasize (a) when dissolved temperature ranges fro...

2013
Eri Saijo Hae-Eun Kang Jifeng Bian Kristi G. Bowling Shawn Browning Sehun Kim Nora Hunter Glenn C. Telling

Although they share certain biological properties with nucleic acid based infectious agents, prions, the causative agents of invariably fatal, transmissible neurodegenerative disorders such as bovine spongiform encephalopathy, sheep scrapie, and human Creutzfeldt Jakob disease, propagate by conformational templating of host encoded proteins. Once thought to be unique to these diseases, this mec...

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