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Journal Articles

Observation of ferroelectric response in conjugated polymer nanotubes

D. Majumdar, S. K. Saha

Appl. Phys. Lett. 96, 183113 (2010)

https://doi.org/10.1063/1.3425894

Published: May 2010

View articletitled, Observation of ferroelectric response in conjugated polymer nanotubes

Journal Articles

Observation of microwave plasmons in one-dimensional conjugated polymer chain

B. Mondal, D. Majumdar, A. Ghosh, S. K. Saha

Appl. Phys. Lett. 94, 183109 (2009)

https://doi.org/10.1063/1.3124653

Published: May 2009

View articletitled, Observation of microwave plasmons in one-dimensional conjugated polymer chain

Journal Articles

Theoretical studies on the bonding and thermodynamic properties of Ge n Si m ( m + n = 5 ) clusters: The precursors of germanium/silicon nanomaterials

Pawel Wielgus, Szczepan Roszak, D. Majumdar, Julia Saloni, Jerzy Leszczynski

J. Chem. Phys. 128, 144305 (2008)

https://doi.org/10.1063/1.2890038

Published: April 2008

View articletitled, Theoretical studies on the bonding and thermodynamic properties of Ge n Si m ( m + n = 5 ) clusters: The precursors of germanium/silicon nanomaterials

Journal Articles

Structure and properties of the low-lying electronic states of Ce C 2 and Ce C 2 +

Pawel Wielgus, D. Majumdar, Szczepan Roszak, Jerzy Leszczynski

J. Chem. Phys. 127, 124307 (2007)

https://doi.org/10.1063/1.2770698

Published: September 2007

View articletitled, Structure and properties of the low-lying electronic states of Ce C 2 and Ce C 2 +

Journal Articles

Theoretical study of the electronic states of Nb 4 , Nb 5 clusters and their anions ( Nb 4 − , Nb 5 − )

D. Majumdar, K. Balasubramanian

J. Chem. Phys. 121, 4014–4032 (2004)

https://doi.org/10.1063/1.1769358

Published: September 2004

View articletitled, Theoretical study of the electronic states of Nb 4 , Nb 5 clusters and their anions ( Nb 4 − , Nb 5 − )

Includes: Supplementary data

Journal Articles

Theoretical study of the electronic states of niobium trimer ( Nb 3 ) and its anion ( Nb 3 − )

D. Majumdar, K. Balasubramanian

J. Chem. Phys. 119, 12866–12877 (2003)

https://doi.org/10.1063/1.1626594

Published: December 2003

View articletitled, Theoretical study of the electronic states of niobium trimer ( Nb 3 ) and its anion ( Nb 3 − )

Journal Articles

Electronic structure and spectroscopic properties of electronic states of VC 2 , VC 2 − , and VC 2 +

D. Majumdar, S. Roszak, K. Balasubramanian

J. Chem. Phys. 118, 130–141 (2003)

https://doi.org/10.1063/1.1523900

Published: January 2003

View articletitled, Electronic structure and spectroscopic properties of electronic states of VC 2 , VC 2 − , and VC 2 +

Journal Articles

Electronic structure and spectroscopic properties of electronic states of ScC 3 and ScC 3 −

S. Roszak, D. Majumdar, K. Balasubramanian

J. Chem. Phys. 116, 10238–10246 (2002)

https://doi.org/10.1063/1.1477181

Published: June 2002

View articletitled, Electronic structure and spectroscopic properties of electronic states of ScC 3 and ScC 3 −

Journal Articles

Spectroscopic properties of lead trimer ( Pb 3 and Pb 3 + ): Potential energy surfaces, spin–orbit and Jahn–Teller effects

K. Balasubramanian, D. Majumdar

J. Chem. Phys. 115, 8795–8809 (2001)

https://doi.org/10.1063/1.1412000

Published: November 2001

View articletitled, Spectroscopic properties of lead trimer ( Pb 3 and Pb 3 + ): Potential energy surfaces, spin–orbit and Jahn–Teller effects

Journal Articles

Theoretical study of the electronic states of small cationic niobium clusters, Nb n + (n=3–5)

D. Majumdar, K. Balasubramanian

J. Chem. Phys. 115, 885–898 (2001)

https://doi.org/10.1063/1.1377879

Published: July 2001

View articletitled, Theoretical study of the electronic states of small cationic niobium clusters, Nb n + (n=3–5)

Journal Articles

Interaction of benzene (Bz) with Pt and Pt 2 : A theoretical study on Bz–Pt 2 , Bz 2 –Pt , Bz 2 –Pt 2 , and Bz 3 –Pt 2 clusters

D. Majumdar, S. Roszak, K. Balasubramanian

J. Chem. Phys. 114, 10300–10310 (2001)

https://doi.org/10.1063/1.1373691

Published: June 2001

View articletitled, Interaction of benzene (Bz) with Pt and Pt 2 : A theoretical study on Bz–Pt 2 , Bz 2 –Pt , Bz 2 –Pt 2 , and Bz 3 –Pt 2 clusters

Journal Articles

Theoretical study of electronic states of platinum pentamer ( Pt 5 )

D. Majumdar, Dingguo Dai, K. Balasubramanian

J. Chem. Phys. 113, 7928–7938 (2000)

https://doi.org/10.1063/1.1316009

Published: November 2000

View articletitled, Theoretical study of electronic states of platinum pentamer ( Pt 5 )

Journal Articles

Theoretical study of the electronic states of platinum trimer ( Pt 3 )

D. Majumdar, Dingguo Dai, K. Balasubramanian

J. Chem. Phys. 113, 7919–7927 (2000)

https://doi.org/10.1063/1.1316039

Published: November 2000

View articletitled, Theoretical study of the electronic states of platinum trimer ( Pt 3 )

Journal Articles

Comparative ab initio study of the structures, energetics and spectra of X − ⋅(H 2 O) n=1–4 [ X=F, Cl, Br, I ] clusters

Jongseob Kim, Han Myoung Lee, Seung Bum Suh, D. Majumdar, Kwang S. Kim

J. Chem. Phys. 113, 5259–5272 (2000)

https://doi.org/10.1063/1.1290016

Published: October 2000

View articletitled, Comparative ab initio study of the structures, energetics and spectra of X − ⋅(H 2 O) n=1–4 [ X=F, Cl, Br, I ] clusters

Journal Articles

Ab initio investigations on the HOSO 2 +O 2 →SO 3 +HO 2 reaction

D. Majumdar, Gap-Sue Kim, Jongseob Kim, Kyung Seok Oh, Jin Yong Lee, Kwang S. Kim, Won Yong Choi, Sung-Hoon Lee, Myung-Ho Kang, Byung Jin Mhin

J. Chem. Phys. 112, 723–730 (2000)

https://doi.org/10.1063/1.480605

Published: January 2000

View articletitled, Ab initio investigations on the HOSO 2 +O 2 →SO 3 +HO 2 reaction

Journal Articles

Charge transfer to solvent (CTTS) energies of small X − ( H 2 O) n=1–4 (X=F, Cl, Br, I) clusters: Ab initio study

D. Majumdar, Jongseob Kim, Kwang S. Kim

J. Chem. Phys. 112, 101–105 (2000)

https://doi.org/10.1063/1.480565

Published: January 2000

View articletitled, Charge transfer to solvent (CTTS) energies of small X − ( H 2 O) n=1–4 (X=F, Cl, Br, I) clusters: Ab initio study

Journal Articles

Photoswitch and nonlinear optical switch: Theoretical studies on 1,2-bis-(3-thienyl)-ethene derivatives

D. Majumdar, Han Myoung Lee, Jongseob Kim, Kwang S. Kim, Byung Jin Mhin

J. Chem. Phys. 111, 5866–5872 (1999)

https://doi.org/10.1063/1.479881

Published: October 1999

View articletitled, Photoswitch and nonlinear optical switch: Theoretical studies on 1,2-bis-(3-thienyl)-ethene derivatives

Journal Articles

Structures, energetics, and spectra of fluoride–water clusters F − (H 2 O) n , n=1–6: Ab initio study

Jiwon Baik, Jongseob Kim, D. Majumdar, Kwang S. Kim

J. Chem. Phys. 110, 9116–9127 (1999)

https://doi.org/10.1063/1.478833

Published: May 1999

View articletitled, Structures, energetics, and spectra of fluoride–water clusters F − (H 2 O) n , n=1–6: Ab initio study

Journal Articles

Structures and energetics of the water heptamer: Comparison with the water hexamer and octamer

Jongseob Kim, D. Majumdar, Han Myoung Lee, Kwang S. Kim

J. Chem. Phys. 110, 9128–9134 (1999)

https://doi.org/10.1063/1.478834

Published: May 1999

View articletitled, Structures and energetics of the water heptamer: Comparison with the water hexamer and octamer

Journal Articles

Theoretical study of the electronic states of Rh n + (n=3–5)

D. Majumdar, K. Balasubramanian

J. Chem. Phys. 108, 2495–2503 (1998)

https://doi.org/10.1063/1.475632

Published: February 1998

View articletitled, Theoretical study of the electronic states of Rh n + (n=3–5)

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Observation of ferroelectric response in conjugated polymer nanotubes

Observation of microwave plasmons in one-dimensional conjugated polymer chain

Theoretical studies on the bonding and thermodynamic properties of Ge n Si m ( m + n = 5 ) clusters: The precursors of germanium/silicon nanomaterials

Structure and properties of the low-lying electronic states of Ce C 2 and Ce C 2 +

Theoretical study of the electronic states of Nb 4 , Nb 5 clusters and their anions ( Nb 4 − , Nb 5 − )

Theoretical study of the electronic states of niobium trimer ( Nb 3 ) and its anion ( Nb 3 − )

Electronic structure and spectroscopic properties of electronic states of VC 2 , VC 2 − , and VC 2 +

Electronic structure and spectroscopic properties of electronic states of ScC 3 and ScC 3 −

Spectroscopic properties of lead trimer ( Pb 3 and Pb 3 + ): Potential energy surfaces, spin–orbit and Jahn–Teller effects

Theoretical study of the electronic states of small cationic niobium clusters, Nb n + (n=3–5)

Interaction of benzene (Bz) with Pt and Pt 2 : A theoretical study on Bz–Pt 2 , Bz 2 –Pt , Bz 2 –Pt 2 , and Bz 3 –Pt 2 clusters

Theoretical study of electronic states of platinum pentamer ( Pt 5 )

Theoretical study of the electronic states of platinum trimer ( Pt 3 )

Comparative ab initio study of the structures, energetics and spectra of X − ⋅(H 2 O) n=1–4 [ X=F, Cl, Br, I ] clusters

Ab initio investigations on the HOSO 2 +O 2 →SO 3 +HO 2 reaction

Charge transfer to solvent (CTTS) energies of small X − ( H 2 O) n=1–4 (X=F, Cl, Br, I) clusters: Ab initio study

Photoswitch and nonlinear optical switch: Theoretical studies on 1,2-bis-(3-thienyl)-ethene derivatives

Structures, energetics, and spectra of fluoride–water clusters F − (H 2 O) n , n=1–6: Ab initio study

Structures and energetics of the water heptamer: Comparison with the water hexamer and octamer

Theoretical study of the electronic states of Rh n + (n=3–5)

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