Perturbative calculations of vibrational (J=0) energy levels of linear molecules in normal coordinate representations

1991 ◽  
Vol 95 (5) ◽  
pp. 3476-3487 ◽  
Author(s):  
Anne B. McCoy ◽  
Edwin L. Sibert
Keyword(s):  
Energy Levels ◽  
Normal Coordinate ◽  
Perturbative Calculations ◽  
Linear Molecules

Semiclassical energy levels for linear molecules

1978 ◽  
Vol 35 (3) ◽  
pp. 649-663 ◽  
Author(s):  
I.C. Percival ◽  
N. Pomphrey
Keyword(s):  
Energy Levels ◽  
Linear Molecules

Thermodynamic Functions of Pendular Molecules

1993 ◽  
Vol 58 (10) ◽  
pp. 2458-2473 ◽  
Author(s):  
Břetislav Friedrich ◽  
Dudley R. Herschbach
Keyword(s):  
Partition Function ◽  
Thermodynamic Functions ◽  
Energy Levels ◽  
Quantum Statistical Mechanics ◽  
Rotational Constant ◽  
Chemical Equilibria ◽  
Rotational States ◽  
Dipolar Molecules ◽  
Linear Molecules ◽  
Classical Partition Function

External electric or magnetic fields can hybridize rotational states of individual dipolar molecules and thus create pendular states whose field-dependent eigenproperties differ qualitatively from those of a rotor or an oscilator. The pendular eigenfunctions are directional, so the molecular axis id oriented. Here we use quantum statistical mechanics to evaluate ensamble properties of the pendular states. For linear molecules, the partition function and the averages that determine the thermodynamic functions can be specified by two reduced variables involving the dipole moment, field strength, rotational constant, and temperature. We examine a simple approximation due to Pitzer that employs the classical partition function with quantum corrections. This provides explicit analytic formulas which permit thermodynamic properties to be evaluated to good accuracy without computing energy levels. As applications we evaluate the high-field average orientation of the molecular dipoles and field-induced shifts of chemical equilibria.

Energy levels in linear molecules. II

1973 ◽  
Vol 6 (5) ◽  
pp. 881-885 ◽  
Author(s):  
P R Scott ◽  
J Raftery ◽  
W G Richards
Keyword(s):  
Energy Levels ◽  
Linear Molecules

Energy levels in linear molecules: the inapplicability of Hund's rules

1972 ◽  
Vol 5 (7) ◽  
pp. 1293-1301 ◽  
Author(s):  
J Raftery ◽  
P R Scott ◽  
W G Richards
Keyword(s):  
Energy Levels ◽  
Linear Molecules

A Perturbation Theory for the Population of Atomic Energy Levels in Non-Lte Plasmas

1988 ◽  
Vol 102 ◽  
pp. 343-347
Author(s):  
M. Klapisch
Keyword(s):  
Perturbation Theory ◽  
Small Parameter ◽  
Classification Scheme ◽  
Sum Rules ◽  
Energy Levels ◽  
Natural Classification ◽  
Quantum Numbers ◽  
Formal Expansion ◽  
Atomic Energy Levels ◽  
As Effects

AbstractA formal expansion of the CRM in powers of a small parameter is presented. The terms of the expansion are products of matrices. Inverses are interpreted as effects of cascades.It will be shown that this allows for the separation of the different contributions to the populations, thus providing a natural classification scheme for processes involving atoms in plasmas. Sum rules can be formulated, allowing the population of the levels, in some simple cases, to be related in a transparent way to the quantum numbers.

Electron microscopic assays of restriction endonuclease cutting, exonuclease digestion, and hybridization

1984 ◽  
Vol 42 ◽  
pp. 686-687
Author(s):  
Mark Hannibal ◽  
Jacob Varkey ◽  
Michael Beer
Keyword(s):  
Electron Microscope ◽  
Low Temperature ◽  
Restriction Endonuclease ◽  
Double Helix ◽  
Test Material ◽  
Electron Microscopic ◽  
Exonuclease Iii ◽  
Dna Molecule ◽  
Linear Molecules ◽  
Exonuclease Digestion

Workman and Langmore have recently proposed a procedure for isolating particular chromatin fragments. The method requires restriction endonuclease cutting of the chromatin and a probe, their digestion with two exonucleases which leave complimentary single strand termini and low temperature hybridization of these. We here report simple electron microscopic monitoring of the four reactions involved.Our test material was ϕX-174 RF DNA which is cut once by restriction endonuclease Xho I. The conversion of circles to linear molecules was followed in Kleinschmidt spreads. Plate I shows a circular and a linear DNA molecule. The rate of cutting is shown in Figure 1.After completion of the endonuclease cutting, one portion of the DNA was treated with exonuclease III, an enzyme known to digest the 3' terminals of double helical DNA. Aliquots when examined in the electron microscope reveal a decreasing length of double helix and increasing bushes at the ends.

Low-lying energy levels of the FeH molecule

1999 ◽  
Vol 97 (1) ◽  
pp. 93-103 ◽  
Author(s):  
DANIEL F. HULLAH, RICHARD F. BARROW, JOHN
Keyword(s):  
Energy Levels
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