Author Institution: Radiation Laboratory University of California“A normal coordinate treatment was carried out for the $HNO_{3}$ and $DNO_{3}$ molecules employing the Wilson FG matrix method and a general quadratic potential function. By means of a preliminary $C_{2v}$ approximation, it was possible to evaluate sets of reasonable force constants as a function of the $N=O, N- O$ bond-bond interaction constant. The derived quantities have been correlated with corresponding ones of structurally related molecules.
CNDO/Force calculations have been performed on a series of molecules, H<SUB>2</SUB>CO, F<SUB>2</SUB>...
The nitrate anion, NO3−, is often regarded as a textbook example for the very fundamental concept of...
Author Institution: Air Force Cambridge Research Laboratories (OAR)The criterion that the sum of the...
Normal coordinate calculations of XH4 and XH3 molecules are reviewed and discussed. It is shown tha...
Various types of force constant refinement procedures have been reviewed. A program has been written...
Author Institution: Computation Center, The University of Pennsylvania, University Park, Pennsylvani...
Vibration rotation spectra of HO15 NO and DO15 NO have been measured at a resolution of 0•04 cm-1 to...
A modification to the Seminario method [ Int. J. Quantum Chem. 1996 , 60 , 1271 - 1277 ] is proposed...
$^{1}$ P. Pulay, Mol. Phys. 17, 197 (1969).Author Institution: Department of Chemistry, University o...
A computational strategy that combines both time-dependent and time-independent approaches is exploi...
Author Institution: Willow Run Laboratories; Department of Chemistry, The University of Miehigan Ann...
A theoretical investigation of HCNBF3 and HCNBCl3 was undertaken with the aim of understanding the c...
Author Institution: University of TexasFirst, a short review of the ab initio harmonic force field c...
CNDO/Force method is used to evaluate the redundancy free internal valence force fields for two conf...
Previous assessment of the validity of an approximate force field has been based upon the accuracy w...
CNDO/Force calculations have been performed on a series of molecules, H<SUB>2</SUB>CO, F<SUB>2</SUB>...
The nitrate anion, NO3−, is often regarded as a textbook example for the very fundamental concept of...
Author Institution: Air Force Cambridge Research Laboratories (OAR)The criterion that the sum of the...
Normal coordinate calculations of XH4 and XH3 molecules are reviewed and discussed. It is shown tha...
Various types of force constant refinement procedures have been reviewed. A program has been written...
Author Institution: Computation Center, The University of Pennsylvania, University Park, Pennsylvani...
Vibration rotation spectra of HO15 NO and DO15 NO have been measured at a resolution of 0•04 cm-1 to...
A modification to the Seminario method [ Int. J. Quantum Chem. 1996 , 60 , 1271 - 1277 ] is proposed...
$^{1}$ P. Pulay, Mol. Phys. 17, 197 (1969).Author Institution: Department of Chemistry, University o...
A computational strategy that combines both time-dependent and time-independent approaches is exploi...
Author Institution: Willow Run Laboratories; Department of Chemistry, The University of Miehigan Ann...
A theoretical investigation of HCNBF3 and HCNBCl3 was undertaken with the aim of understanding the c...
Author Institution: University of TexasFirst, a short review of the ab initio harmonic force field c...
CNDO/Force method is used to evaluate the redundancy free internal valence force fields for two conf...
Previous assessment of the validity of an approximate force field has been based upon the accuracy w...
CNDO/Force calculations have been performed on a series of molecules, H<SUB>2</SUB>CO, F<SUB>2</SUB>...
The nitrate anion, NO3−, is often regarded as a textbook example for the very fundamental concept of...
Author Institution: Air Force Cambridge Research Laboratories (OAR)The criterion that the sum of the...