نتایج جستجو برای: imaginary frequencies and trans bent configuration

تعداد نتایج: 16854066  

Journal: :The Journal of chemical physics 2012
Ryan C Fortenberry Xinchuan Huang Joseph S Francisco T Daniel Crawford Timothy J Lee

Only one fundamental vibrational frequency of protonated carbon dioxide (HOCO(+)) has been experimentally observed in the gas phase: the ν(1) O-H stretch. Utilizing quartic force fields defined from CCSD(T)/aug-cc-pVXZ (X = T,Q,5) complete basis set limit extrapolated energies modified to include corrections for core correlation and scalar relativistic effects coupled to vibrational perturbatio...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شهید بهشتی - دانشکده علوم 1371

we describe here a suitable approach for the synthesis of n-unsubstituted monocyclic b-lactams under mild reaction conditions by the annelation of imines with substituted acetylchlorides. in this method the reaily available phtalimidoacetyl chloride were allowed to react with - dibenzylideneiminotoluene (hydrobenzamide) in the presence of an equimolar amount of triethylamine in refluxing toluen...

2005
Alexander Zhidenko

We calculate QNMs of the scalar hairy black hole in the AdS background using Horowitz-Hubeny method for the potential that is not known in analytical form. For some black hole parameters we found pure imaginary frequencies. Increasing of the scalar field mass does not cause the imaginary part to vanish, it reaches some minimum and then increases, thus in the case under consideration the infinit...

Journal: :The journal of physical chemistry. A 2005
Ruth Elliott Ryan Compton Robert Levis Spiridoula Matsika

The low-lying electronic states of O3 and SO2 in their bent and cyclic isomers up to about 10 eV are calculated using the multireference configuration interaction (MRCI) method with a standard Gaussian correlation consistent polarized triple-zeta (cc-pVTZ) basis set. The vertical excitation energies, electron configurations, and oscillator strengths of these states are reported. The molecular o...

2003
R Tudela

We propose a method to display full complex Fresnel holograms by adding the information displayed on two analogue ferroelectric liquid crystal spatial light modulators. One of them works in real-only configuration and the other in imaginary-only mode. The Fresnel holograms are computed by backpropagating an object at a selected distance with the Fresnel transform. Then, displaying the real and ...

Journal: :Journal of Physical Chemistry A 2021

Uranium trioxide, UO3, has a T-shaped structure with bent uranyl, UO22+, coordinated by an equatorial oxo, O2–. The of cation UO3+ is similar but oxyl, O•–. Neutral and cationic uranium trioxide nitrates were characterized collision induced dissociation (CID), infrared multiple-photon (IRMPD) spectroscopy, density functional theory. CID uranyl nitrate, [UO2(NO3)3]– (complex A1), eliminates NO2 ...

2008
Yoshikazu Giga Piotr Rybka

We study crystalline driven curvature flow with spatially nonuniform driving force term. We assume special monotonicity properties of the driving term, which are motivated by our previous work on Berg’s effect. We consider special initial data which we call ‘bent rectangles’. We prove existence of solutions for a generic forcing term as well as generic subclass of bent rectangles. We show the i...

2005
Koji Hashimoto John E. Wang

While in string theory the subject of sources in imaginary time has received some attention, we demonstrate the power of imaginary sources by proving that they constitute in several field theories a complete basis for all smooth and time dependent source free solutions. These proofs promote the study of imaginary sources to a new and crucial viewpoint for understanding time dependent background...

Campbell Keith HS Choi Inchul Moawad Adel R, Zhu Jie

Background: The cryopreservation of immature oocytes at the germinal vesicle (GV) stage would create an easily accessible, nonseasonal source of female gametes for research and reproduction. The present study investigated the ability of ovine oocytes vitrified at the GV stage using a cryoloop to be subsequently matured, fertilized and cultured in vitro to blastocyst-stage embryos. Materials and...

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