UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 46

Sortiert nach

ExoMol molecular line lists – XI. The spectrum of nitric acid

Monthly notices of the Royal Astronomical Society, 2015-09, Vol.452 (2), p.1702-1706

2015

Volltextzugriff (PDF)

A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094309-094309

2015

Volltextzugriff (PDF)

Hybrid variational-perturbation method for calculating ro-vibrational energy levels of polyatomic molecules

Molecular physics, 2015-07, Vol.113 (13-14), p.1559-1575

2015

Volltextzugriff (PDF)

Density evolution of absorption bandshapes in the water vapor OH-stretching fundamental and overtone: evidence for molecular aggregation

Journal of molecular structure, 2005-05, Vol.742 (1), p.173-181

2005

Volltextzugriff (PDF)

Algorithm for variational calculations of molecular symmetry in solving anharmonic vibrational problems

Journal of structural chemistry, 1997-11, Vol.38 (6), p.959-964

Pavlyuchko, A. I.

1997

Volltextzugriff (PDF)

МАТЕМАТИЧЕСКОЕ МОДЕЛИРОВАНИЕ НАНОТЕХНОЛОГИЧЕСКИХ ПРОЦЕССОВ ИНЖЕКТОРНОЙ ЗАЩИТЫ МЕТАЛЛОВ

Vestnik MGSU, 2012-12 (12), p.139-148

2012

Volltextzugriff (PDF)

Evaluation of the electrooptical parameter system in the valence-optical scheme

Journal of applied spectroscopy, 2013-07, Vol.80 (3), p.345-350

2013

Volltextzugriff (PDF)

On the accuracy of ab initio calculations of absolute band intensities in the IR spectra of molecules

Journal of structural chemistry, 2012-03, Vol.53 (2), p.276-282

2012

Volltextzugriff (PDF)

Ab initio calculation of band absolute intensities in IR spectra

Journal of applied spectroscopy, 2012, Vol.78 (6), p.782-786

2012

Volltextzugriff (PDF)

Estimation of absorption band contribution for overtones and combined frequencies in the fingerprint region for alkanes, nitriles, amines, and nitroalkanes

Journal of structural chemistry, 2010-06, Vol.51 (3), p.444-452

2010

Volltextzugriff (PDF)

Calculations of molecular ir spectra in the overtone and combination frequency regions

Journal of applied spectroscopy, 2011-11, Vol.78 (5), p.639-645

2011

Volltextzugriff (PDF)

Quantum chemical estimation of the overtone contribution to the IR spectra of hydrocarbon halogen derivatives

Journal of structural chemistry, 2010-12, Vol.51 (6), p.1045-1051

2010

Volltextzugriff (PDF)

“Spectroscopic” Calculations of CH Bond Dissociation Energies for Ethane, Propane, Butane, Isobutane, Pentane, Hexane, and Neopentane Using Fundamental Vibration Frequencies

Journal of structural chemistry, 2003-11, Vol.44 (6), p.961-969

2003

Volltextzugriff (PDF)

Spectroscopic Calculation of CH Bond Dissociation Energies for Aliphatic Nitriles

Journal of structural chemistry, 2004-09, Vol.45 (5), p.771-777

2004

Volltextzugriff (PDF)

On Feasibility of “Spectroscopic” Calculations of XH Bond Dissociation Energies for Polyatomic Molecules from Fundamental Vibration Frequencies Using the Anharmonic Molecular Model

Journal of structural chemistry, 2003-11, Vol.44 (6), p.951-960

2003

Volltextzugriff (PDF)

Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone

Journal of structural chemistry, 2005-01, Vol.46 (1), p.159-163

2005

Volltextzugriff (PDF)

On the stability of parameters of molecular models in the parametric method of the theory of vibronic spectra

Optics and spectroscopy, 2011-12, Vol.111 (6), p.885-893

2011

Volltextzugriff (PDF)

Ab initio study of aniline and n-propylamine associates with nitrobenzene and m-cresol

Journal of structural chemistry, 2004-07, Vol.45 (4), p.563-569

2004

Volltextzugriff (PDF)

Estimation of the contribution of absorption bands for overtones and composite frequencies in IR spectra of olefins and heteroatomic organic compounds

Journal of analytical chemistry (New York, N.Y.), 2010-12, Vol.65 (12), p.1235-1241

2010

Volltextzugriff (PDF)

Applicability of the quantum-chemical calculations of potential and electrooptical function parameters to the standardless spectrum analysis of heteroatomic organic compounds

Journal of analytical chemistry (New York, N.Y.), 2010-11, Vol.65 (11), p.1109-1112

2010

Volltextzugriff (PDF)

Estimation of the contributions of absorption bands for overtones and composite frequencies in infrared spectra of brominated and oxygen-containing organic compounds

Journal of analytical chemistry (New York, N.Y.), 2011-06, Vol.66 (6), p.572-579

2011

Volltextzugriff (PDF)

Separation of the vibrational, rotational, and translational motions of polyatomic molecules using curvilinear vibrational coordinates

Journal of structural chemistry, 1995-03, Vol.36 (2), p.210-224

Pavlyuchko, A. I.

1995

Volltextzugriff (PDF)

Variational method for calculating the anharmonic vibrations of polyatomic molecules using a combined morse-anharmonic basis taking into account the fragmentary structure of molecules

Journal of structural chemistry, 1995-03, Vol.36 (2), p.204-209

Pavlyuchko, A. I.

1995

Volltextzugriff (PDF)

Spectroscopic calculations of CH and OH bond dissociation energies for aldehydes, ketones, acids, and alcohols

Journal of structural chemistry, 2007-07, Vol.48 (4), p.607-614

2007

Volltextzugriff (PDF)

Spectroscopic calculation of CH bond dissociation energy in the series of chloro derivatives of methane, ethane, and propane

Journal of structural chemistry, 2006-07, Vol.47 (4), p.635-641

2006

Volltextzugriff (PDF)

1 – 25 von 46

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(44)
Mit Volltextzugriff
(46)

Publikationsform

Artikel
(46)

Sprache

Englisch
(46)

Erscheinungsjahr

n.n

Thema

Science & Technology
(33)
Physical Sciences
(30)
Chemistry
(27)
Chemistry, Physical
(23)
Chemistry, Inorganic & Nuclear
(19)
Anharmonic Calculation
(11)
Physics
(8)
Bond Dissociation Energy
(7)
Analytical Chemistry
(6)
Atomic/molecular Structure And Spectra
(6)
Chemistry And Materials Science
(6)
Physics And Astronomy
(5)
Analysis
(4)
Benzene
(4)
Ethane
(4)
Ir Spectrum
(4)
Quantum-Chemical Calculations
(4)
Solid State Physics
(4)
Spectroscopy
(4)
Technology
(4)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

ExoMol molecular line lists – XI. The spectrum of nitric acid

A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid

Hybrid variational-perturbation method for calculating ro-vibrational energy levels of polyatomic molecules

Density evolution of absorption bandshapes in the water vapor OH-stretching fundamental and overtone: evidence for molecular aggregation

Algorithm for variational calculations of molecular symmetry in solving anharmonic vibrational problems

МАТЕМАТИЧЕСКОЕ МОДЕЛИРОВАНИЕ НАНОТЕХНОЛОГИЧЕСКИХ ПРОЦЕССОВ ИНЖЕКТОРНОЙ ЗАЩИТЫ МЕТАЛЛОВ

Evaluation of the electrooptical parameter system in the valence-optical scheme

On the accuracy of ab initio calculations of absolute band intensities in the IR spectra of molecules

Ab initio calculation of band absolute intensities in IR spectra

Estimation of absorption band contribution for overtones and combined frequencies in the fingerprint region for alkanes, nitriles, amines, and nitroalkanes

Calculations of molecular ir spectra in the overtone and combination frequency regions

Quantum chemical estimation of the overtone contribution to the IR spectra of hydrocarbon halogen derivatives

“Spectroscopic” Calculations of CH Bond Dissociation Energies for Ethane, Propane, Butane, Isobutane, Pentane, Hexane, and Neopentane Using Fundamental Vibration Frequencies

Spectroscopic Calculation of CH Bond Dissociation Energies for Aliphatic Nitriles

On Feasibility of “Spectroscopic” Calculations of XH Bond Dissociation Energies for Polyatomic Molecules from Fundamental Vibration Frequencies Using the Anharmonic Molecular Model

Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone

On the stability of parameters of molecular models in the parametric method of the theory of vibronic spectra

Ab initio study of aniline and n-propylamine associates with nitrobenzene and m-cresol

Estimation of the contribution of absorption bands for overtones and composite frequencies in IR spectra of olefins and heteroatomic organic compounds

Applicability of the quantum-chemical calculations of potential and electrooptical function parameters to the standardless spectrum analysis of heteroatomic organic compounds

Estimation of the contributions of absorption bands for overtones and composite frequencies in infrared spectra of brominated and oxygen-containing organic compounds

Separation of the vibrational, rotational, and translational motions of polyatomic molecules using curvilinear vibrational coordinates

Variational method for calculating the anharmonic vibrations of polyatomic molecules using a combined morse-anharmonic basis taking into account the fragmentary structure of molecules

Spectroscopic calculations of CH and OH bond dissociation energies for aldehydes, ketones, acids, and alcohols

Spectroscopic calculation of CH bond dissociation energy in the series of chloro derivatives of methane, ethane, and propane

Suchergebnisse filtern