Infrared Spectra and Quantum Chemical Calculations of Group 2 MO2, O2MO2, and Related Molecules

1996 ◽  
Vol 100 (24) ◽  
pp. 10088-10099 ◽  
Author(s):  
Lester Andrews ◽  
George V. Chertihin ◽  
Craig A. Thompson ◽  
Janet Dillon ◽  
Susan Byrne ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical ◽  
Group 2

Infrared Spectra and Quantum Chemical Calculations of the Bridge-Bonded HC(F)LnF2(Ln = La–Lu) Complexes

2011 ◽  
Vol 30 (16) ◽  
pp. 4443-4452 ◽  
Author(s):  
Yu Gong ◽  
Xuefeng Wang ◽  
Lester Andrews ◽  
Mingyang Chen ◽  
David A. Dixon
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical

Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds

2010 ◽  
Vol 132 (24) ◽  
pp. 8484-8488 ◽  
Author(s):  
Xuefeng Wang ◽  
Lester Andrews ◽  
Per-Åke Malmqvist ◽  
Björn O. Roos ◽  
António P. Gonçalves ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical ◽  
Uranium Carbide ◽  
Triple Bonds

Infrared Spectra of12CF2═12CH2and12CF2═13CH2, Quantum-Chemical Calculations of Anharmonicity, and Analyses of Resonances

2010 ◽  
Vol 114 (18) ◽  
pp. 5728-5742 ◽  
Author(s):  
Donald C. McKean ◽  
Benjamin van der Veken ◽  
Wouter Herrebout ◽  
Mark M. Law ◽  
Michael J. Brenner ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical

Laser-Ablated U Atom Reactions with (CN)2to Form UNC, U(NC)2, and U(NC)4: Matrix Infrared Spectra and Quantum Chemical Calculations

2018 ◽  
Vol 122 (2) ◽  
pp. 516-528 ◽  
Author(s):  
Zongtang Fang ◽  
Edward B. Garner ◽  
David A. Dixon ◽  
Yu Gong ◽  
Lester Andrews ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical

scholarly journals Aromatic B3 Ring Stabilized Group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)

2021 ◽  
Author(s):  
Ritam Borah ◽  
Amlan Kalita ◽  
Farnaz Yashmin ◽  
Kangkan Sarma ◽  
Rinu Deka ◽  
...  
Keyword(s):  
Complex Formation ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Thermodynamic Consideration ◽  
Type Complex ◽  
Sandwich Type ◽  
Group 2

Quantum chemical calculations have been performed on B3 ring stabilized Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of binuclear sandwich type complex formation. Calculations indicate single reference character of the studied systems. The complexes have been found to be stable towards dissociation into different fragments. Thermodynamic consideration also indicates the favourability of their formation. Increase in aromaticity of the parent B3 ring upon complexation is observed which is expected to provide extra stability to the complexes.

Raman and Infrared Spectra and Quantum Chemical Calculations for Trichlorophosphoranylidenesulfamoyl Chloride, CISO2N=PCI3

1997 ◽  
Vol 130 (8) ◽  
pp. 1141-1145 ◽  
Author(s):  
R. M. S. áglvarez ◽  
E. H. Cutin ◽  
H.-G. Mack ◽  
C. O. Della Védova
Keyword(s):  
Quantum Chemical Calculations ◽  
Infrared Spectra ◽  
Quantum Chemical
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