Alkyldinitrogen species implicated in the carcinogenic, mutagenic, and anticancer activities of N-nitroso compounds: characterization by nitrogen-15 NMR of nitrogen-15-enriched compounds and analysis of DNA base situselectivity by ab initio calculations

1984 ◽  
Vol 106 (21) ◽  
pp. 6401-6408 ◽  
Author(s):  
J. William Lown ◽  
Shive M. S. Chauhan ◽  
R. Rao Koganty ◽  
Anne Marie Sapse
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Nitroso Compounds ◽  
Anticancer Activities ◽  
Dna Base

Ab initio calculations on simple heterocycles and DNA base-pair triplets

2003 ◽  
Vol 666-667 ◽  
pp. 123-129 ◽  
Author(s):  
G. Paragi ◽  
C. Van Alsenoy ◽  
B. Penke ◽  
Z. Timár
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Base Pair ◽  
Dna Base ◽  
Dna Base Pair

Modeling of DNA Base Interactions with Carbon Nanotubes: ab initio Calculations and SEIRA Data

2009 ◽  
Author(s):  
Galina Dovbeshko ◽  
Lilia M. Woods ◽  
Yaroslav Shtogun ◽  
Olena Fesenko ◽  
George Maroulis ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Dna Base

Nonempirical ab initio calculations on DNA base pairs

1996 ◽  
Vol 204 (2-3) ◽  
pp. 365-372 ◽  
Author(s):  
Jiří Šponer ◽  
Pavel Hobza
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

DNA Base Trimers: Empirical and Quantum Chemical Ab Initio Calculations versus Experiment in Vacuo

2007 ◽  
Vol 13 (7) ◽  
pp. 2067-2077 ◽  
Author(s):  
Martin Kabeláč ◽  
Edward C. Sherer ◽  
Christopher J. Cramer ◽  
Pavel Hobza
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Dna Base

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
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