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 Excited state dynamics of Photoactive Yellow Protein chromophores elucidated by high-resolution spectroscopy and ab initio calculations

2013 ◽  
Vol 163 ◽  
pp. 321 ◽  
Author(s):  
Eric M. M. Tan ◽  
Saeed Amirjalayer ◽  
Bert H. Bakker ◽  
Wybren J. Buma
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
High Resolution Spectroscopy ◽  
Photoactive Yellow Protein ◽  
Excited State Dynamics

Vibrational structures in the A2E′′←X2E′ system of the lithium trimer: high-resolution spectroscopy and ab initio calculations

1999 ◽  
Vol 299 (2) ◽  
pp. 212-220 ◽  
Author(s):  
H.-G. Krämer ◽  
M. Keil ◽  
C.B. Suarez ◽  
W. Demtröder ◽  
W. Meyer
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
High Resolution Spectroscopy

High-Resolution Spectroscopy and Ab Initio Calculations on HfCl

2000 ◽  
Vol 202 (1) ◽  
pp. 116-130 ◽  
Author(s):  
R.S. Ram ◽  
A.G. Adam ◽  
A. Tsouli ◽  
J. Liévin ◽  
P.F. Bernath
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
High Resolution Spectroscopy

The structure of SrTiO3(001)-2 × 1 surface analyzed by high-resolution medium energy ion scattering coupled with ab initio calculations

2013 ◽  
Vol 138 (24) ◽  
pp. 244705 ◽  
Author(s):  
Taishi Matsuda ◽  
Yuki Yoshida ◽  
Kei Mitsuhara ◽  
Yoshiaki Kido
Keyword(s):  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Medium Energy ◽  
Ion Scattering ◽  
Medium Energy Ion Scattering

Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis

2019 ◽  
Vol 21 (14) ◽  
pp. 7330-7340 ◽  
Author(s):  
Francesca Nunzi ◽  
Diego Cesario ◽  
Leonardo Belpassi ◽  
Francesco Tarantelli ◽  
Luiz F. Roncaratti ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Beam ◽  
Halogen Bond ◽  
Noble Gas ◽  
Molecular Beam Scattering ◽  
Beam Scattering ◽  
Charge Displacement ◽  
Insight Into

A weak halogen bond, together with charge transfer from a noble gas to Cl2, characterizes the intermolecular interaction between a noble gas atom and Cl2 in a collinear configuration.

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

The Ar–C2H2 intermolecular potential from high resolution spectroscopy and ab initio theory: A case for multicenter interactions

1993 ◽  
Vol 99 (11) ◽  
pp. 8585-8598 ◽  
Author(s):  
R. J. Bemish ◽  
P. A. Block ◽  
L. G. Pedersen ◽  
Weitao Yang ◽  
R. E. Miller
Keyword(s):  
High Resolution ◽  
Ab Initio ◽  
High Resolution Spectroscopy ◽  
Intermolecular Potential ◽  
Ab Initio Theory

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
Sign in / Sign up

Export Citation Format

Share Document