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Vibration energy levels of the PH3, PH2D, and PHD2 molecules calculated from high order potential energy surface
Andrei V. Nikitin et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
State-selective spectroscopy of water up to its first dissociation limit
Maxim Grechko et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE
Stuart Carter et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules
Edit Matyus et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Global modeling of the lower three polyads of PH3: Preliminary results
A. V. Nikitin et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2009)
High-Resolution Near Infrared Spectroscopy and Vibrational Dynamics of Dideuteromethane (CH2D2)
O. N. Ulenikov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
A Variationally Computed T=300 K Line List for NH3
Sergei N. Yurchenko et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
Fabien Gatti et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2009)
Greenhouse gases, radiative forcing, global warming potential and waste management - an introduction
Charlotte Scheutz et al.
WASTE MANAGEMENT & RESEARCH (2009)
Accurate calculation of transition moment parameters for rovibrational bands from ab initio dipole and potential surfaces:: Application to fundamental bands of the water molecule
Julien Lamouroux et al.
CHEMICAL PHYSICS LETTERS (2008)
An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH3
Xinchuan Huang et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Vibrational energies of PH3 calculated variationally at the complete basis set limit
Roman I. Ovsyannikov et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The H216O molecule:: Line position and line intensity analyses up to the second triad
L. H. Coudert et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2008)
Variational quantum approaches for computing vibrational energies of polyatomic molecules
Joel M. Bowman et al.
MOLECULAR PHYSICS (2008)
Configuration selection as a route towards efficient vibrational configuration interaction calculations
Guntram Rauhut
JOURNAL OF CHEMICAL PHYSICS (2007)
Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules
Sergei N. Yurchenko et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2007)
Rovibrational molecular Hamiltonian in mixed bond-angle and umbrella-like coordinates
Jan Makarewicz et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Vibrational levels of methanol calculated by the reaction path version of MULTIMODE, using an ab initio, full-dimensional potential
Joel M. Bowman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Optimal internal coordinates, vibrational spectrum, and effective Hamiltonian for ozone
Jose Zuniga et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
The dance of molecules: New dynamical perspectives on highly excited molecular vibrations
Michael E. Kellman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
Different forms of effective Hamiltonians
JKG Watson
MOLECULAR PHYSICS (2005)
Assigning vibrational polyads using relative equilibria:: application to ozone
IN Kozin et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2005)
Microwave Fourier transform, millimeterwave, and submillimeterwave spectra of ozone in its vibrational ground state
JM Colmont et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2005)
On the application of canonical perturbation theory up to the dissociation threshold
S Buyukdagli et al.
CHEMICAL PHYSICS LETTERS (2005)
Rotation-vibration motion of pyramidal XY3 molecules described in the Eckart frame: The calculation of intensities with application to NH3
SN Yurchenko et al.
ADVANCES IN QUANTUM CHEMISTRY, VOL 48 (2005)
A study of the vibrations of fluoroform with a sixth order nine-dimensional potential: a combined perturbative-variational approach
SG Ramesh et al.
MOLECULAR PHYSICS (2005)
Global analytical potential hypersurface for large amplitude nuclear motion and reactions in methane II. Characteristic properties of the potential and comparison to other potentials and experimental information
R Marquardt et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
High-resolution spectrum of the ν1+ν4(E), ν3+ν4(E), ν3+ν4(A1), and ν3+ν4(A2) bands of the PH3 molecule:: assignments and preliminary analysis
ON Ulenikov et al.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER (2004)
Application of the DVR method to the vibration-rotation spectrum of N2O:: derivation of the dipole moment derivatives in Radau coordinates
M Jacon et al.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER (2004)
Vibrational coupled cluster theory
O Christiansen
JOURNAL OF CHEMICAL PHYSICS (2004)
Contracted basis Lanczos methods for computing numerically exact rovibrational levels of methane
XG Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Symmetry-adapted tensorial formalism to model rovibrational and rovibronic spectra of molecules pertaining to various point groups
V Boudon et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2004)
New analysis of the ν5 and 2ν9 bands of HNO3 by infrared and millimeter wave techniques:: line positions and intensities
A Perrin et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2004)
Combined perturbative-variational investigation of the vibrations of CHBr3 and CDBr3
SG Ramesh et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules
J Tennyson et al.
COMPUTER PHYSICS COMMUNICATIONS (2004)
Standards development of global warming gas species: Methane, nitrous oxide, trichlorofluoromethane, and dichlorodifluoromethane
GC Rhoderick et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2004)
Moller-Plesset perturbation theory for vibrational wave functions
O Christiansen
JOURNAL OF CHEMICAL PHYSICS (2003)
Rho-axis-method Hamiltonian for molecules having one methyl rotor and C1 point-group symmetry at equilibrium
I Kleiner et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
A contracted basis-Lanczos calculation of vibrational levels of methane: Solving the Schrodinger equation in nine dimensions
XG Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
New rovibrational kinetic energy operators using polyspherical coordinates for polyatomic molecules
DW Schwenke
JOURNAL OF CHEMICAL PHYSICS (2003)
Alternative perturbation method for the molecular vibration-rotation problem
P Cassam-Chenaï et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)
The MIRS computer package for modeling the rovibrational spectra of polyatomic molecules
A Nikitin et al.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER (2003)
Canonical perturbation theory for highly excited dynamics
M Joyeux et al.
CANADIAN JOURNAL OF PHYSICS (2002)
Algebraic effective resonance Hamiltonian approach to highly excited SO2((X)over-tilde1A1):: Effect of bending excitation on local-mode bifurcation
T Sako et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Highly excited motion in molecules: Saddle-node bifurcations and their fingerprints in vibrational spectra
M Joyeux et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Water spectra in the region 4200-6250 cm-1, extended analysis of ν1+ν2, ν2+ν3, and 3ν2 bands and confirmation of highly excited states from flame spectra and from atmospheric long-path observations
SN Mikhailenko et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2002)
A theoretical study of the vibrational spectrum of the CS2 molecule
J Zúñiga et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Extraction of the vibrational dynamics from spectra of highly excited polyatomics: DCO
C Jung et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Semiclassical assignment of the vibrational spectrum of N2O
H Waalkens et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Towards accurate ab initio predictions of the vibrational spectrum of methane
DW Schwenke
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2002)
Discrete variable approaches to tetratomic molecules Part I: DVR(6) and DVR(3)+DGB methods
M Mladenovic
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2002)
The vibrational level spectrum of H2O((X)over-tilde1A′) from the Partridge-Schwenke potential up to the dissociation limit
GH Li et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2001)
Optimal generalized internal vibrational coordinates and potential energy surface for the ground electronic state of SO2
J Zúñiga et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Beyond the potential energy surface:: Ab initio corrections to the Born-Oppenheimer approximation for H2O
DW Schwenke
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Vibrational energy levels for CH4 from an ab initio potential
DW Schwenke et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2001)
Symmetry, invariants, and topology in molecular models
BI Zhilinskií
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2001)
Third-order derivatives of the dipole moment function for the ozone molecule
ON Sulakshina et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
A nine-dimensional high order perturbative study of the vibration of silane and its isotopomers
XG Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Quantum averaging for driven systems with resonances
HR Jauslin et al.
PHYSICA A (2000)
The infrared spectrum of CH3D between 900 and 3200 cm-1:: extended assignment and modeling
A Nikitin et al.
JOURNAL OF MOLECULAR STRUCTURE (2000)
Anharmonic force field and vibrational frequencies of tetrafluoromethane (CF4) and tetrafluorosilane (SiF4)
XG Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Semiclassical study of the isomerization states of HCP
M Joyeux et al.
JOURNAL OF CHEMICAL PHYSICS (2000)