نتایج جستجو برای: moller plesset

تعداد نتایج: 1319  

Journal: :The journal of physical chemistry. A 2005
Ana Borba Andrea Gómez-Zavaglia Pedro N N L Simões Rui Fausto

The preferred conformations of dimethyl sulfite and their vibrational spectra were studied by matrix-isolation Fourier transform infrared spectroscopy and theoretical methods (density functional theory (DFT) and Moller-Plesset (MP2), with basis sets of different sizes, including the quadruple-zeta, aug-cc-pVQZ basis). Five minima were found at these levels of theory. At the MP2/6-31++G(d,p) and...

2013
Jing Huang Markus Meuwly

Proton and hydrogen-bonded motifs are amongst the most widely occurring patterns in chemistry and biology. Besides their intrinsic chemical significance, they also display a fascinating range of dynamical effects including highly quantum behavior or strong coupling between inter and intramolecular degrees of freedom. In chemical and biological systems, rates for proton transfer (PT) or hydrogen...

Journal: :Journal of Physics A: Mathematical and General 2001

2001
A D Baute I L Egusquiza J G Muga

The Moller operators and the asociated Lippman-Schwinger equations obtained from different partitionings of the Hamiltonian for a step-like potential barrier are worked out, compared and related.

Journal: :Journal of Chemical Education 1941

Journal: :Papers of the Bibliographical Society of Canada 2022

Violet Moller, The Map of Knowledge: A Thousand-Year History How Classical Ideas Were Lost and Found (New York: Doubleday, 2019), 312 pp., ISBN 9780385541763 (hardcover)

Journal: :Progress of Theoretical Physics 1991

2017

Endometrial cancer is the most common gynecologic malignancy affecting women in the United States. In 1988, the International Federation of Gynecology and Obstetrics shifted from a clinical staging protocol to one based on surgical factors, making surgical staging the accepted treatment approach to endometrial cancers, with excellent survival compared to other gynecologic malignancies. The manu...

2011
THOMAS MOLLER

A common, natural view about probabilities, shared by phllosophers of diverse persuasions, is that probabilities are graded possibilities.1 On this view, which I will presuppose, there are no probabilities without underlying possibilities, and there is room for different notions of probability at least to the extent that there are different underlying notions of possibility. In this paper I wan...

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