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Ab initio electronic structure calculations
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Journal Articles

A comparative study of optical properties of site specific doping in GaNbO4

David Mascarenhas, Vaishali Shah
Journal: AIP Conference Proceedings
AIP Conf. Proc. 2115, 030617 (2019)
https://doi.org/10.1063/1.5113456
Published: July 2019
View article titled, A comparative study of optical properties of site specific doping in GaNbO<sub>4</sub>
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Journal Articles

Ab initio electronic structure calculation of polymononucleotide, a model of B-type DNA

Hiroyuki Teramae, Yuriko Aoki
Journal: AIP Conference Proceedings
AIP Conf. Proc. 2040, 020013 (2018)
https://doi.org/10.1063/1.5079055
Published: November 2018
View article titled, Ab initio electronic structure calculation of polymononucleotide, a model of B-type DNA
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Journal Articles

Dynamics of alkali ions-neutral molecules reactions: Radio frequency-guided beam experimental cross-sections and direct quasiclassical trajectory studies

J. Aguilar, J. de Andrés, J. M. Lucas, M. Albertí, F. Huarte-Larrañaga, D. Bassi, A. Aguilar
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1501, 1340–1349 (2012)
https://doi.org/10.1063/1.4769696
Published: November 2012
View article titled, Dynamics of alkali ions-neutral molecules reactions: Radio frequency-guided beam experimental cross-sections and direct quasiclassical trajectory studies
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Journal Articles

Estimation of Van der Waals Broadening Coefficients

V. A. Astapenko, A. V. Demura, G. V. Demchenko, B. V. Potapkin, A. V. Scherbinin, S. Ya. Umanskii, A. V. Zaitsevskii
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1290, 39–43 (2010)
https://doi.org/10.1063/1.3517579
Published: October 2010
View article titled, Estimation of Van der Waals Broadening Coefficients
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Journal Articles

Ab Initio Study of Polonium

Noriza Ahmad Zabidi, Hasan Abu Kassim, Keshav N. Shrivastava
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1017, 255–258 (2008)
https://doi.org/10.1063/1.2940638
Published: May 2008
View article titled, Ab Initio Study of Polonium
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Journal Articles

ANALYTICAL EQUATIONS OF STATE FOR USE IN HYDRO‐CODES

J. R. Maw
Journal: AIP Conference Proceedings
AIP Conf. Proc. 955, 67–70 (2007)
https://doi.org/10.1063/1.2833193
Published: December 2007
View article titled, ANALYTICAL EQUATIONS OF STATE FOR USE IN HYDRO‐CODES
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Journal Articles

Electron delocalization and dimerization in solid C59N doped C60 fullerene

A. Rockenbauer, Gábor Csányi, F. Fülöp, S. Garaj, L. Korecz, R. Lukács, F. Simon, L. Forró, S. Pekker, A. Jánossy
Journal: AIP Conference Proceedings
AIP Conf. Proc. 786, 41–45 (2005)
https://doi.org/10.1063/1.2103817
Published: September 2005
View article titled, Electron delocalization and dimerization in solid C<sub>59</sub>N doped C<sub>60</sub> fullerene
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Journal Articles

Structural transformations in single wall carbon nanotube bundles

Vijay Kumar, M. Sluiter, Y. Kawazoe
Journal: AIP Conference Proceedings
AIP Conf. Proc. 590, 277–280 (2001)
https://doi.org/10.1063/1.1420108
Published: October 2001
View article titled, Structural transformations in single wall carbon nanotube bundles
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Journal Articles

Ability to predict molecular rotation‐vibration line shapes

Sheldon Green
Journal: AIP Conference Proceedings
AIP Conf. Proc. 328, 367–371 (1995)
https://doi.org/10.1063/1.47476
Published: February 1995
View article titled, Ability to predict molecular rotation‐vibration line shapes
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