Publications

Journal Articles

 

“First Principles Study of Electronic Structure of BF₃∙NH₃ Complex and Associated Properties”, Journal of the American Chemical Society, To Be Submitted.

 

“Liquid Crystal Elastomers with Mechanical Properties of a Muscle”  Macromolecules, 2001

 

“Sonochemically Produced ZnS-Coated Polystyrene Core-Shell Particles for use in Photonic Crystals”, Applied Physics Letters, 1999

 

 

Proceedings Articles

“First Principles Hartree-Fock Cluster Study Of Very Dilute Transition Metal And Rare-Earth Ion Systems In Silicon”, Magnetic Materials: Proceedings of the International Conference on Magnetic Materials (ICMM-2007)

“Theory of Electronic Structure and Nuclear Quadrupole Interactions in the BF3-NH3 Complex and Methyl Derivatives”, Hyperfine Interactions 2007

“First principles study of nuclear quadrupole interactions in the molecular solid BF₃ and the nature of binding between the molecules”, Hyperfine Interactions 2007

“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 2007

“Nuclear quadrupole interactions and electronic structure of BF₃ ∙H₂O complex”, Hyperfine Interactions 2007

“Investigation of the hyperfine properties of deoxyhemoglobin based on its electronic structure obtained by Hartree-Fock-Roothan procedure” Hyperfine Interactions 2007

“Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level” Hyperfine Interactions 2007

“First-principles study of location of Er^3 +ion - relationship to understanding of hyperfine interactions in the optoelectronic erbium-silicon system” Hyperfine Interactions 2007

 

 

Presentations

 

2009

 

American Physical Society March Meeting (Pittsburg, Pennsylvania)

 “Study of Charge and Spin Distribution Properties in Five Liganded Halogen-Heme Systems” Archana Dubey, Minakhi Pujari, K. Ramani Lata, Alyssa Garcia, A.F. Schulte, S.R. Badu, R.H. Pink, R.H. Scheicher, T.P. Das.

“First Principles Study of Nuclear Quadrupole Interactions in Single and Double Chained DNA and Solid Nucleobases” T.P. Das, R.H. Pink, S.R. Badu, Archana Dubey, R.H. Scheicher, H.P. Saha, Lee Chow, M.B. Huang.

 

“First Principles Study of Muonium Trapping and Associated Magnetic Hyperfine Interactions in Nucleobases in Single and Double Chained DNA and Solid Nucleobases” S.R. Badu, R.H. Pink, Archana Dubey, R.H. Scheicher, H.P. Saha, K. Nagamine, E. Torikai, Lee Chow, M.B. Huang, T.P. Das.

 

“First Principles Hartree Fock Study of Locations and Hyperfine Interactions of Transition Metal Impurites in Silicon” R.H. Pink, S.R. Badu, Archana Dubey, R.H. Scheicher, Lee Chow, M.B. Huang, T.P. Das.

 

“Understanding of Nuclear Quadrupole Interaction of ¹⁹F* and Binding Energies of Solid Fluorine at the First Principles Level” D.R. Mishra, M.M. Aryal, Tu, Kirtipur, N.P. Adhikari, Tu, S.R. Badu, R.H. Pink, R.H. Scheicher, Lee Chow, T.P. Das.

 

“Test of Current Variational Procedures for Electronic Structures and Properties of Molecular and Solid State Systems by Application to Atomic Systems H^- Ion” Hari Paudel, Archana Dubey, R.H. Scheicher, S.R. Badu, R.H. Pink, T.P. Das.

2008

American Physical Society March Meeting (New Orleans, Louisianna)

 

“Location and Magnetic Hyperfine Properties of Mn²⁺ in Silicon. R.H. Pink”, Archana Dubey , S.R. Badu , R.H. Scheicher , M.B. Huang , Lee Chow , T.P. Das

 

“Electronic Structure and the Magnetic Hyperfine Interactions in Heme Unit of Metmyoglobin”;.B. Maharjan , S.R. Badu , Archana Dubey , R.H. Scheicher , R.H. Pink , Lee Chow , A. Schulte , H.P. Saha , T.P. Das

“Hartree-Fock Investigation of Electronic Structure and Associated Properties of Heme Unit in Deoxyhemoglobin”, S.R. Badu , Archana Dubey , K. Ramani Lata , R.H. Scheicher , R.H. Pink , A. Schulte , Lee Chow , H.P. Saha , K. Nagamine , T.P. Das

“The Electronic Investigation of Singlet and Triplet States of Oxyhemoglobin by Hartree-Fock Procedure and Associated Hyperfine Interaction”. Archana Dubey , S.R. Badu , R.H. Scheicher , N. Sahoo , R.H. Pink , A. Schulte , H.P. Saha , Lee Chow , K. Nagamine , T.P. Das

“Hartree-Fock Cluster Study of Electronic Structures and Nuclear Quadrupole Interactions in Solid Nucleobases”; R.H. Scheicher , Archana Dubey , S.R. Badu , H.P. Saha , R.H. Pink , K. Nagamine , E. Torikai , Lee Chow , T.P. Das

 

“Nuclear Quadrupole Interaction Study as a Probe of Interaction between Nucleobases and Suger Rings and Phosphate Groups in DNA”; T.P. Das , Archana Dubey , R.H. Scheicher , S.R. Badu , R.H. Pink , K. Nagamine , E. Torikai , H.P. Saha , Lee Chow , M.B. Huang

 

2007

 

American Physical Society March Meeting (Denver, Colorado)

 

“Study of Electronic Structures of Nucleobases and Associated Nuclear Quandrupole Interactions for ¹⁴N, ¹⁷O and ²H in A-DNA and B-DNA”;  R.H. Scheicher, Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, H.P. Saha, Lee Chow.

 

“Hartree-Fock study of the Heme Unit of deoxy-hemoglobin for Hyperfine Interactions and Vibrational Properties” T.P. Das,   K. Ramani Lata, R.H. Pink, Dip N. Mahato, Archana Dubey, H.P. Saha, A.F. Schulte, Lee Chow, R.H. Scheicher, N.B. Maharjan, N. Sahu.

 

“Investigation of Bonding in the BF₃·H₂O Complex”; Archana Dubey, H.P. Saha, Lee Chow, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das, R.H. Scheicher, Mahendra K. Mahanti

 

“First-Principles Study of the Nature of Binding in BF₃ Molecular Solids”; Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, R. H. Scheicher

 

“First-Principles Study of Er Location in Er-Si Systems with Oxygen Co-Dopants”; R.H. Pink, Junho Jeong, Dip N. Mahato, M.B. Huang, T.P. Das,   R.H. Scheicher, Sitaram Byahut.

 

2006

 

American Physical Society March Meeting (Baltimore, Maryland)

 

“Theory of Electronic Structure and Nuclear Quadrupole Interactions in the BF₃-NH₃ Complex” APS March Meeting 2006

 

“Study of Trapping Sites for Beryllium Atom in C₆₀ –Fullerene and Electron Capture for ⁷BE Nucleus” APS March Meeting 2006

 

“Electron Distributions in Pure TiO₂ Anatase Phase and with Hydrogen Impurities” APS March Meeting 2006

 

“Theory of Nuclear Quadrupole Interaction in Trifluoro-Aminoboranes [BF₃-NH_3-X(CH3)_X]”  APS March Meeting 2006

 

“Electron Distribution in Solid BF₃ and BF₃-NH₃ – Associated Nuclear Quadrupole Interactions” APS March Meeting 2006

 

“Unrestricted Hartree-Fock Investigation of the Electron Distribution on the Heme System in Azidohemoglobin- ⁵⁷Fe and ¹⁴N Hyperfine Interactions” APS March Meeting 2006

 

2005

 

American Physical Society March Meeting (Los Angeles, California)

 

“First Principles Study of Electronic Structure of BF₃-NH₃ Complex and Associated Properties” APS March Meeting 2005

 

 

 

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