scholarly journals Ab Initio Calculations of Low-Energy Nuclear Scattering Using Confining Potential Traps

2020 ◽  
Vol 125 (11) ◽  
Author(s):  
Xilin Zhang ◽  
S. R. Stroberg ◽  
P. Navrátil ◽  
Chan Gwak ◽  
J. A. Melendez ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Low Energy ◽  
Nuclear Scattering ◽  
Confining Potential ◽  
Potential Traps

Ab Initio Calculations on Low-Energy Conformers of α-Cyclodextrin

2007 ◽  
Vol 111 (48) ◽  
pp. 12127-12135 ◽  
Author(s):  
Cleber P. A. Anconi ◽  
Clebio S. Nascimento, ◽  
Juliana Fedoce-Lopes ◽  
Hélio F. Dos Santos ◽  
Wagner B. De Almeida
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Low Energy

Low-Energy States of Manganese–Oxo Corrole and Corrolazine: Multiconfiguration Reference ab Initio Calculations

2012 ◽  
Vol 51 (7) ◽  
pp. 4002-4006 ◽  
Author(s):  
Hailiang Zhao ◽  
Kristine Pierloot ◽  
Ernie H. G. Langner ◽  
Jannie C. Swarts ◽  
Jeanet Conradie ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Low Energy ◽  
Energy States

Modeling reaction pathways of low energy particle deposition on thiophene via ab initio calculations

2011 ◽  
Vol 510 (4-6) ◽  
pp. 197-201 ◽  
Author(s):  
Jasmine D. Crenshaw ◽  
Simon R. Phillpot ◽  
Nedialka Iordanova ◽  
Susan B. Sinnott
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Particle Deposition ◽  
Low Energy ◽  
Reaction Pathways ◽  
Energy Particle

scholarly journals N-site de-methylation in pyrimidine bases as studied by low energy electrons and ab initio calculations

2013 ◽  
Vol 15 (27) ◽  
pp. 11431 ◽  
Author(s):  
D. Almeida ◽  
D. Kinzel ◽  
F. Ferreira da Silva ◽  
B. Puschnigg ◽  
D. Gschliesser ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Low Energy ◽  
Low Energy Electrons ◽  
Pyrimidine Bases

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

Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors

2020 ◽  
Vol 55 (1) ◽  
pp. 108-113
Author(s):  
M. A. Mehrabova ◽  
H. S. Orujov ◽  
N. H. Hasanov ◽  
A. I. Kazimova ◽  
A. A. Abdullayeva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Semimagnetic Semiconductors
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