[PDF] Top 20 The low-lying states of the scandium dimer
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The low-lying states of the scandium dimer
... aspect of our work concerns the in- vestigation of the possible reduction of the size of the active ...for the low-lying states ... See full document
10
Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S-1 and S-2 excited states of pyrimidine
... simulation. The first part is statics in which molecular structures, vibrational frequencies and transi- tion energies are calculated within Born–Oppenheimer approxima- tion for electronically ground and excited ... See full document
11
Ordering, Interaction, and Reactivity of the Low-Lying n pi* and pi pi* Excited Triplet States of Acetophenone Derivatives
... conclusion, the thermal equilibrium with fast exchange between the T 1 and T 2 states elucidated in the present study very well accounts for the substituent dependence of photo- ... See full document
5
A theoretical search for stable bent and linear structures of low-lying electronic states of the titanium dioxide (TiO2) molecule
... work the geometric and energetic properties of the ground and low-lying electronic excited states of the titanium dioxide mono-molecule have been investigated at ... See full document
9
Intruder States in Multireference Perturbation Theory: The Ground State of Manganese Dimer
... intruder states; MCQDPT; CASPT2 Introduction Theoretical determination of potential energy curves for metal dimers is very challenging because of a large number of low- lying ... See full document
11
Topology of conical/surface intersections among five low-lying electronic states of CO2: Multireference configuration interaction calculations
... 2 states, and the surface intersection between 3 A 2 and 1 B 2 ...states. The ground state 1 A 1 has a large area of inter- section with the lowest triplet 3 B 2 state around ... See full document
9
OPTICAL 2ND HARMONIC-GENERATION FROM LOW-LYING EXCITED-STATES IN POTASSIUM VAPOR
... Here we d o not consider the effect of the population reduction caused by ionisation because no enhancement in the ionisation current is observed as the laser is tuned t[r] ... See full document
16
Dissociation Rate Constant of the Hydrogen Fluoride Dimer by the ab Initio Anharmonic RRKM Theory
... Conclusions The dividing surface VTST method and RRKM theory within the YL method are effectively used in the studies of HF clusters in this ...work, the total number of ... See full document
6
Low-lying exciton states in a type-II broken-gap quantum well structure: A variation-basis-set approach
... electron states. Excitons in semiconductor heterostructures have been of continued interest, both theoretical and experimental in the past two ...decades. The reasons are firstly, that ... See full document
10
The dependence of initial states on the excitation of NO molecules by chirped infrared laser pulses
... Introduction The control of molecular dynamics and its reaction yields by lasers have been investigated extensively over the last two ...Among the various approaches that have been proposed ... See full document
15
The elusive excited states of bithiophene: a CASPT2 detective story
... goal of this work is to investigate the excitation energies and oscillator strengths of the lowest singlet states of bithiophene using a series of computational approaches ... See full document
12
On the calculation of the dissociation rate constant of the water dimer by the ab initio anharmonic RRKM theory
... In the liquid state, there exist many more ways for energy to be ap- plied to a bond, so one would expect the hydrogen bond lifetime to be shorter than that in clusters but still within two or three orders ... See full document
5
Statistical study on the states in the low-temperature poly-silicon films with thin film transistors
... Department of Photonics and Display Institute, National Chiao Tung University, Hsinchu, Taiwan, 300 Available online 8 September 2006 Abstract Laser recrystallized low temperature poly-silicon films have ... See full document
4
The socioeconomic geography of organic agriculture in the United States
... terms of data in that it examines the spatial distribution of organic agriculture by using county-level data for the entire United States over ...range of social and cultural ... See full document
24
Role of the XRCC5/XRCC6 dimer in carcinogenesis and pharmacogenomics
... In the past decades, the incidence of cancer keeps its rapid increasing step all over the world and cancer is always an important threat to public ...series of genetic alterations ... See full document
72
Work After Retirement: the Experiences of Older Men in the United States
... Although the finding that almost one-third of retirees reenter the labor force was not "new" information, this research provides considerable detail as to how the process is structured r[r] ... See full document
26
Density of states of the interacting two-dimensional electron gas
... Density of states of the interacting two-dimensional electron gas E. Kogan, 1,2, * and B. Rosenstein 2,1,† 1 Jack and Pearl Resnick Institute, Physics Department, Bar Ilan University, Ramat ... See full document
3
Significant influence of surface states on the electroluminescence of CdS nanoparticles
... exciton levels corresponding to bulk CdS bandgap now change their peak positions of quantum states due to modification of surface configuration.. Modified A free exciton [r] ... See full document
9
Comment on "Intermolecular interaction potentials of the methane dimer from the local density approximation"
... verify the recently calculated intermolecular interaction potentials of the methane dimer within the density functional theory using the 共Perdew兲 local density approximation ... See full document
2
The Impact of NAFTA on Textiles and Apparel Exports of Asian Countries to the United States
... CONCLUSION The implementation of NAFTA and the removal of quotas under the ATC have resulted in a fundamental change in the US imports of ...In the early 1990s, ... See full document
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