Ab initio calculations on monohalogenophosphanes PH2X (X=F,Cl,Br,I), and experimental detection and characterization of PH2F and PH2Cl by high resolution infrared spectroscopy

1994 ◽  
Vol 101 (7) ◽  
pp. 5585-5595 ◽  
Author(s):  
H. Beckers ◽  
H. Bürger ◽  
R. Kuna ◽  
M. Paplewski ◽  
W. Thiel
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Experimental Detection

Gas-phase detection of the FCO2 radical by millimeter wave and high resolution infrared spectroscopy assisted by ab initio calculations

2003 ◽  
Vol 118 (3) ◽  
pp. 1214-1220 ◽  
Author(s):  
Zdeněk Zelinger ◽  
Pascal Dréan ◽  
Adam Walters ◽  
Juan Ramon Avilès Moreno ◽  
Marcel Bogey ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Millimeter Wave ◽  
Phase Detection

High resolution infrared spectroscopy and ab initio calculations of HCN–H2/D2 binary complexes

2001 ◽  
Vol 115 (11) ◽  
pp. 5137-5143 ◽  
Author(s):  
D. T. Moore ◽  
M. Ishiguro ◽  
L. Oudejans ◽  
R. E. Miller
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Binary Complexes

Characterization of Protonated Formamide-Containing Clusters by Infrared Spectroscopy and Ab Initio Calculations:  I. O-Protonation

2000 ◽  
Vol 104 (42) ◽  
pp. 9556-9565 ◽  
Author(s):  
C.-C. Wu ◽  
J. C. Jiang ◽  
I. Hahndorf ◽  
C. Chaudhuri ◽  
Y. T. Lee ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio

Characterization of Protonated Formamide-Containing Clusters by Infrared Spectroscopy and ab Initio Calculations. II. Hydration of Formamide in the Gas Phase

2001 ◽  
Vol 105 (39) ◽  
pp. 8906-8915 ◽  
Author(s):  
C. Chaudhuri ◽  
J. C. Jiang ◽  
C.-C. Wu ◽  
X. Wang ◽  
H.-C. Chang
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Inversion Motion and S1Equilibrium Geometry of 4-Fluoroaniline:  Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations

1999 ◽  
Vol 103 (45) ◽  
pp. 8946-8951 ◽  
Author(s):  
M. Becucci ◽  
E. Castellucci ◽  
I. López-Tocón ◽  
G. Pietraperzia ◽  
P. R. Salvi ◽  
...  
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Beam ◽  
High Resolution Spectroscopy

scholarly journals On the energy scale involved in the metal to insulator transition of quadruple perovskite EuCu3Fe4O12: infrared spectroscopy and ab-initio calculations

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
B. Brière ◽  
A. Kalinko ◽  
I. Yamada ◽  
P. Roy ◽  
J. B. Brubach ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Scale ◽  
Insulator Transition ◽  
Metal To Insulator Transition
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