IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6

2013 ◽  
Vol 66 ◽  
pp. 83-92 ◽  
Author(s):  
Daria Galimberti ◽  
Claudio Quarti ◽  
Alberto Milani ◽  
Luigi Brambilla ◽  
Bartolomeo Civalleri ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Crystalline Polymers ◽  
Nylon 6,6

Ultrafast Charge Transfer Studied by Femtosecond IR-Spectroscopy and ab Initio Calculations

2000 ◽  
Vol 47 (4A) ◽  
pp. 721-728 ◽  
Author(s):  
Andreas Kummrow ◽  
Jens Dreyer ◽  
Christian Chudoba ◽  
Jens Stenger ◽  
Erik Theodorus ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Ultrafast Charge Transfer

In Situ IR Spectroscopy and Ab Initio Calculations To Study Polymer Swelling by Supercritical CO2

2009 ◽  
Vol 113 (4) ◽  
pp. 897-905 ◽  
Author(s):  
Pauline Vitoux ◽  
Thierry Tassaing ◽  
Francois Cansell ◽  
Samuel Marre ◽  
Cyril Aymonier
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Supercritical Co2 ◽  
Polymer Swelling ◽  
In Situ Ir ◽  
In Situ Ir Spectroscopy

Electronic Structures of Bent, Formally Two-Coordinate Lanthanide(III) Cations

2019 ◽  
Author(s):  
David Mills ◽  
Hannah Nicholas ◽  
Michele Vonci ◽  
Conrad Goodwin ◽  
Richard Winpenny ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Single Crystal ◽  
Ab Initio ◽  
Elemental Analysis ◽  
Electronic Structures ◽  
Magnetic Measurements ◽  
Single Crystal Xrd ◽  
Multinuclear Nmr

<p>Synthesis of bent, formally two-coordinate lanthanide(III) cations. Characterization by multinuclear NMR, EPR, UV/Vis/NIR and ATR-IR spectroscopy, single crystal XRD, magnetic measurements, elemental analysis and ab initio calculations. <b></b></p>

Electronic Structures of Bent, Formally Two-Coordinate Lanthanide(III) Cations

2019 ◽  
Author(s):  
David Mills ◽  
Hannah Nicholas ◽  
Michele Vonci ◽  
Conrad Goodwin ◽  
Richard Winpenny ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Single Crystal ◽  
Ab Initio ◽  
Elemental Analysis ◽  
Electronic Structures ◽  
Magnetic Measurements ◽  
Single Crystal Xrd ◽  
Multinuclear Nmr

<p>Synthesis of bent, formally two-coordinate lanthanide(III) cations. Characterization by multinuclear NMR, EPR, UV/Vis/NIR and ATR-IR spectroscopy, single crystal XRD, magnetic measurements, elemental analysis and ab initio calculations. <b></b></p>

Association of haloforms in condensed and gas phases. IR spectroscopy and ab initio calculations

2018 ◽  
Vol 59 (2) ◽  
Author(s):  
◽  
I. Yu. Kalagaev ◽  
A. N. Petukhov ◽  
A. I. Grushevskaya ◽  
R. V. Kapustin ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phases

Transient IR spectroscopy and ab initio calculations on ESIPT in 3-hydroxyflavone solvated in acetonitrile

2012 ◽  
Vol 14 (43) ◽  
pp. 15007 ◽  
Author(s):  
Katharina Chevalier ◽  
Matthias M. N. Wolf ◽  
Andreas Funk ◽  
Marko Andres ◽  
Markus Gerhards ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio
Sign in / Sign up

Export Citation Format

Share Document