Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules (original ) (raw )Anharmonic force fields and perturbation theory in the interpretation of vibrational spectra of polyatomic molecules
Sergey Krasnoshchekov
2008
View PDFchevron_right
Analysis of the Vibrational Spectra of Polyatomic Molecules Using an Algebraic Model: An Application to XH3 Joydeep Choudhury, Nirmal Kumar Sarkar, 2
Joydeep Choudhury
CHINESE JOURNAL OF PHYSICS, 2012
View PDFchevron_right
Quantum chemical predictions of the vibrational spectra of polyatomic molecules
V.K. Rastogi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2002
View PDFchevron_right
Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules
Suehiro Iwata
The Journal of Chemical Physics, 2006
View PDFchevron_right
Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field
Galina Chaban
The Journal of chemical physics, 1999
View PDFchevron_right
Calculation of the vibrational wave function of polyatomic molecules
Kenneth Ruud
The Journal of Chemical Physics, 2000
View PDFchevron_right
Toward anharmonic computations of vibrational spectra for large molecular systems
Malgorzata Biczysko , Ivan Carnimeo , Julien Bloino
View PDFchevron_right
Extraction of the Vibrational Dynamics from Spectra of Highly Excited Polyatomics:� DCO
Erdinc Atilgan
The Journal of Physical Chemistry a, 2002
View PDFchevron_right
Semi-classical methods for vibrational energy levels of triatomic molecules
Susan Colwell
Faraday Discussions of the Chemical Society, 1977
View PDFchevron_right
Approximate First-Principles Anharmonic Calculations of Polyatomic Spectra Using MP2 and B3LYP Potentials: Comparisons with Experiment
Tucker Carrington
The Journal of Physical Chemistry A, 2014
View PDFchevron_right
Assigning quantum labels to variationally computed rotational-vibrational eigenstates of polyatomic molecules
Tamás Szidarovszky
The Journal of Chemical Physics, 2010
View PDFchevron_right
Extraction of the vibrational dynamics from the spectra of highly excited molecules and periodic orbit quantization by harmonic inversion
Erdinc Atilgan
Proquest Dissertations and Theses Thesis University of Southern California 2003 Publication Number Aai3116660 Isbn 9780496640935 Source Dissertation Abstracts International Volume 64 12 Section B Page 6140 110 P, 2003
View PDFchevron_right
Analysis of the Vibrational Spectra of Polyatomic Molecules Using an Algebraic Model: II. An Application to AB4
Joydeep Choudhury
View PDFchevron_right
Theoretical Methods for the Analysis of Spectra of Highly Vibrationally Excited Polyatomic Molecules
F. Borondo
Laser Chemistry, 1992
View PDFchevron_right
A General Algebraic Model for Molecular Vibrational Spectroscopy
Roelof Bijker
Annals of Physics, 1996
View PDFchevron_right
Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics
Jaime Suarez
The Journal of chemical physics, 2018
View PDFchevron_right
Variational quantum approaches for computing vibrational energies of polyatomic molecules
Hans-dieter Meyer , Tucker Carrington
Molecular Physics, 2008
View PDFchevron_right
Systematic Approach to Compute the Vibrational Energy Levels of Diatomic Molecules
Salaheddine Sayouri
Journal of Applied Mathematics and Physics, 2020
View PDFchevron_right
Criteria for first- and second-order vibrational resonances and correct evaluation of the Darling-Dennison resonance coefficients using the canonical Van Vleck perturbation theory
Sergey Krasnoshchekov
The Journal of chemical physics, 2014
View PDFchevron_right
The VCI-P code: an iterative variation-perturbation scheme for efficient computations of anharmonic vibrational levels and IR intensities of polyatomic molecules
Claude Pouchan
2010
View PDFchevron_right
Calculation of anharmonic vibrational spectroscopy of small biological molecules
B. Brauer
PhysChemComm, 2002
View PDFchevron_right
A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
Allen Clabo
Chemical Physics, 1988
View PDFchevron_right
The performance of explicitly correlated methods for the computation of anharmonic vibrational frequencies
Ryan Fortenberry
International Journal of Quantum Chemistry, 2019
View PDFchevron_right
Numerical-Analytic Implementation of the Higher-Order Canonical Van Vleck Perturbation Theory for the Interpretation of Medium-Sized Molecule Vibrational Spectra
Sergey Krasnoshchekov
The Journal of Physical Chemistry A, 2012
View PDFchevron_right
Calculation of anharmonic intensities in vibrational spectra of raman scattering and full interpretation of the vibrational spectrum of trans-1,3-butadiene
Sergey Krasnoshchekov
Moscow University Chemistry Bulletin, 2010
View PDFchevron_right
Quantum chemical computational methods have proved to be an essential tool for interpreting and predicting the vibrational spectra
Dr.k sambath kumar
View PDFchevron_right
Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case
Malgorzata Biczysko , Julien Bloino
The Journal of Chemical Physics, 2008
View PDFchevron_right
An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules
Kenneth Ruud
The Journal of Chemical Physics, 2000
View PDFchevron_right
Theory and energetics of mass spectra
Blair N McMaster
Mass Spectrometry, 1975
View PDFchevron_right
Quantum and classical study of vibrational states of H+2 and H+3 molecules
Ricardo Gargano
International Journal of Quantum Chemistry, 2003
View PDFchevron_right
Anharmonic Vibrational Analysis of the Gas-Phase Infrared Spectrum of 1,1-Difluoroethylene Using the Operator Van Vleck Canonical Perturbation Theory
Sergey Krasnoshchekov
The Journal of Physical Chemistry A, 2013
View PDFchevron_right
Does ℏ Play a Role in Multidimensional Spectroscopy? Reduced Hierarchy Equations of Motion Approach to Molecular Vibrations
Yoshitaka Tanimura
The Journal of Physical Chemistry A, 2011
View PDFchevron_right
A Comparison Between Algebraic Models of Molecular Spectroscopy
José Arias
Symmetries in Science X, 1998
View PDFchevron_right