First-Principles Investigation of Nitrogen Nuclear Quadrupole Interactions in the RDX (C3H6N6O6) System

Ranjit Pati; Sudha Srinivas; Tina Briere; T. P. Das; N. Sahoo; S. N. Ray

doi:10.1021/j100022a016

First-Principles Investigation of Nitrogen Nuclear Quadrupole Interactions in the RDX (C3H6N6O6) System

The Journal of Physical Chemistry ◽

10.1021/j100022a016 ◽

1995 ◽

Vol 99 (22) ◽

pp. 9051-9055 ◽

Cited By ~ 3

Author(s):

Ranjit Pati ◽

Sudha Srinivas ◽

Tina Briere ◽

T. P. Das ◽

N. Sahoo ◽

...

Keyword(s):

First Principles ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole

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First principles study of nuclear quadrupole interactions in the molecular solid BF3 and the nature of binding between the molecules

HFI/NQI 2007 ◽

10.1007/978-3-540-85320-6_2 ◽

2008 ◽

pp. 15-20

Author(s):

Dip N. Mahato ◽

R. H. Pink ◽

S. R. Badu ◽

R. H. Scheicher ◽

Archana Dubey ◽

...

Keyword(s):

First Principles ◽

Quadrupole Interactions ◽

First Principles Study ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole ◽

Molecular Solid

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Understanding of nuclear quadrupole interactions of 35Cl, 79Br and 129I and binding energies of solid halogens at first-principles level

HFI/NQI 2007 ◽

10.1007/978-3-540-85320-6_8 ◽

2008 ◽

pp. 51-57

Author(s):

M. M. Aryal ◽

D. R. Mishra ◽

D. Paudyal ◽

S. Byahut ◽

N. B. Maharjan ◽

...

Keyword(s):

First Principles ◽

Binding Energies ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole

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Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level

HFI/NQI 2007 ◽

10.1007/978-3-540-85320-6_93 ◽

2008 ◽

pp. 601-606 ◽

Cited By ~ 1

Author(s):

Dip N. Mahato ◽

Archana Dubey ◽

R. H. Pink ◽

R. H. Scheicher ◽

S. R. Badu ◽

...

Keyword(s):

Theoretical Investigation ◽

First Principles ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole

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Understanding of nuclear quadrupole interactions of 35 Cl, 79 Br and 129 I and binding energies of solid halogens at first-principles level

Hyperfine Interactions ◽

10.1007/s10751-008-9633-9 ◽

2007 ◽

Vol 176 (1-3) ◽

pp. 51-57 ◽

Cited By ~ 7

Author(s):

M. M. Aryal ◽

D. R. Mishra ◽

D. D. Paudyal ◽

S. Byahut ◽

N. B. Maharjan ◽

...

Keyword(s):

First Principles ◽

Binding Energies ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole

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Structure, Chemical Bonding, and Nuclear Quadrupole Interactions of β-Cd(OH)2: Experiment and First Principles Calculations

Inorganic Chemistry ◽

10.1021/ic990018e ◽

1999 ◽

Vol 38 (12) ◽

pp. 2860-2867 ◽

Cited By ~ 16

Author(s):

L. Hemmingsen ◽

R. Bauer ◽

M. J. Bjerrum ◽

K. Schwarz ◽

P. Blaha ◽

...

Keyword(s):

Chemical Bonding ◽

First Principles ◽

First Principles Calculations ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole

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Anomalous temperature dependence of nuclear quadrupole interactions in strongly hydrogen-bonded systems from first principles

The Journal of Chemical Physics ◽

10.1063/1.2000241 ◽

2005 ◽

Vol 123 (7) ◽

pp. 074501 ◽

Cited By ~ 18

Author(s):

J. Schmidt ◽

D. Sebastiani

Keyword(s):

Temperature Dependence ◽

First Principles ◽

Anomalous Temperature Dependence ◽

Anomalous Temperature ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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First principles study of nuclear quadrupole interactions in the molecular solid BF3 and the nature of binding between the molecules

Hyperfine Interactions ◽

10.1007/s10751-008-9611-2 ◽

2007 ◽

Vol 176 (1-3) ◽

pp. 15-20 ◽

Cited By ~ 1

Author(s):

Dip N. Mahato ◽

R. H. Pink ◽

S. R. Badu ◽

R. H. Scheicher ◽

Archana Dubey ◽

...

Keyword(s):

First Principles ◽

Quadrupole Interactions ◽

First Principles Study ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole ◽

Molecular Solid

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ChemInform Abstract: Structure, Chemical Bonding, and Nuclear Quadrupole Interactions of β-Cd(OH)2: Experiment and First Principles Calculations.

ChemInform ◽

10.1002/chin.199934002 ◽

2010 ◽

Vol 30 (34) ◽

pp. no-no

Author(s):

L. Hemmingsen ◽

R. Bauer ◽

M. J. Bjerrum ◽

K. Schwarz ◽

P. Blaha ◽

...

Keyword(s):

Chemical Bonding ◽

First Principles ◽

First Principles Calculations ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Abstract Structure ◽

Nuclear Quadrupole

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Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level

Hyperfine Interactions ◽

10.1007/s10751-008-9693-x ◽

2008 ◽

Vol 181 (1-3) ◽

pp. 81-86 ◽

Cited By ~ 1

Author(s):

Dip N. Mahato ◽

Archana Dubey ◽

R. H. Pink ◽

R. H. Scheicher ◽

S. R. Badu ◽

...

Keyword(s):

Theoretical Investigation ◽

First Principles ◽

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Nuclear Quadrupole

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Effect of Nuclear Quadrupole Interactions on the Dynamics of Two-Level Systems in Glasses

Physical Review Letters ◽

10.1103/physrevlett.96.025505 ◽

2006 ◽

Vol 96 (2) ◽

Cited By ~ 8

Author(s):

A. L. Burin ◽

I. Ya. Polishchuk ◽

P. Fulde ◽

Y. Sereda

Keyword(s):

Quadrupole Interactions ◽

Nuclear Quadrupole Interactions ◽

Two Level Systems ◽

Nuclear Quadrupole

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