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1

Giant dielectric permittivity in interrupted silver nanowires grown within mesoporous silica

Maity, Anupam, Samanta, Subha, Chatterjee, Soumi, Maiti, Ramaprasad, Biswas, Debasish, Saha, Shyamal K, Chakravorty, Dipankar

Journal:

Journal of Physics D Applied Physics

Year:

2018

Language:

english

File:

PDF, 2.37 MB

english, 2018

2

A test of the Hirshfeld definition of atomic charges and moments

Ernest R. Davidson, Subhas Chakravorty

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1992

Language:

english

File:

PDF, 612 KB

english, 1992

3

Rice–Bernasconi Gorkov–Eliashberg Effect of Giant Dielectric Permittivity in Silica-Based Films Containing Interrupted Silver Nanowires

Samanta, Subha, Maity, Anupam, Chatterjee, Soumi, Maiti, Ramaprasad, Biswas, Debasish, Giri, Saurav, Chakravorty, Dipankar

Journal:

Transactions of the Indian Institute of Metals

Year:

2018

Language:

english

File:

PDF, 2.03 MB

english, 2018

4

The average electron momentum density and rigorous bounds to average electron densities for atoms and molecules

Shridhar R. Gadre, Subhas J. Chakravorty

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 425 KB

english, 1986

5

Coupled-cluster study of the equilibrium geometry and harmonic vibrational frequencies of the methyl radical

Orlando Roberto-Neto, Subhas Chakravorty, Francisco B.C. Machado

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 82 KB

english, 2005

6

Composites of nanodimensional glass in the system Na2OâSiO2/Mesoporous silica and their high ionic conductivity

Samanta, Subha, Maity, Anupam, Chatterjee, Soumi, Giri, Saurav, Chakravorty, Dipankar

Journal:

Journal of Physics and Chemistry of Solids

Year:

2020

File:

PDF, 2.58 MB

2020

7

Improved AMBER∗ torsional parameters for the N–N rotational barrier in diacylhydrazines

Subhas Chakravorty, Charles H. Reynolds

Journal:

Journal of Molecular Graphics and Modelling

Year:

1999

Language:

english

File:

PDF, 317 KB

english, 1999

8

CCR2 receptor antagonists: Optimization of biaryl sulfonamides to increase activity in whole blood

Gren Z. Wang, Pamela A. Haile, Tom Daniel, Benjamin Belot, Andrew Q. Viet, Krista B. Goodman, Deyou Sha, Sarah E. Dowdell, Norbert Varga, Xuan Hong, Subhas Chakravorty, Christine Webb, Carla Cornejo,

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 903 KB

english, 2011

9

Interconnections between atomic-electron density and electron-momentum density: Leading and tail corrections

Gadre, Shridhar R., Chakravorty, Subhas J.

Journal:

Physical Review A

Year:

1986

Language:

english

File:

PDF, 300 KB

english, 1986

10

The transition metal-carbonyl bond

Davidson, Ernest R., Kunze, Kathryn L., Machado, Francisco B. C., Chakravorty, Subhas J.

Journal:

Accounts of Chemical Research

Year:

1993

Language:

english

File:

PDF, 977 KB

english, 1993

11

Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Combinatorial Library Design

Mosley, Ralph T., Culberson, J. Christopher, Kraker, Bryan, Feuston, Bradley P., Sheridan, Robert P., Conway, John F., Forbes, Joseph K., Chakravorty, Subhas J., Kearsley, Simon K.

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 503 KB

english, 2005

12

Giant Dielectric Constant of Copper Nanowires/Amorphous SiO 2 Composite Thin Films for Supercapacitor Application

Maity, Anupam, Samanta, Subha, Roy, Shubham, Biswas, Debasish, Chakravorty, Dipankar

Journal:

Year:

2020

File:

PDF, 11.88 MB

2020

13

Ab initio calculations on XFnq (X = I, Xe, Cs, and Ba; n=1, 2, 4, and 6; q=−1, 0, +1, and +2) molecules

Francisco B. C. Machado, Tapan K. Ghanty, Subhas Chakravorty, Ernest R. Davidson

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 174 KB

english, 2001

14

A possible definition of basis set superposition error

Ernest R. Davidson, Subhas J. Chakravorty

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 636 KB

english, 1994

15

Soft Coulomb hole for the Hartree-Fock model to estimate atomic correlation energies

Chakravorty, Subhas J., Clementi, Enrico

Journal:

Physical Review A

Year:

1989

Language:

english

File:

PDF, 349 KB

english, 1989

16

Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Combinatorial Library Design.

Ralph T. Mosley, J. Christopher Culberson, Bryan Kraker, Bradley P. Feuston, Robert P. Sheridan, John F. Conway, Joseph K. Forbes, Subhas J. Chakravorty, Simon K. Kearsley

Journal:

Year:

2005

File:

PDF, 8 KB

2005

17

Use of a nonlocal density approximation for transformation from electron density to electron momentum density

Gadre, Shridhar R., Chakravorty, Subhas J.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 574 KB

english, 1987

18

Some rigorous inequalities among the Weizsacker correction and atomic 〈rn〉 and 〈pn〉 values

Gadre, Shridhar R., Chakravorty, Subhas J.

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 377 KB

english, 1986

19

Effect of Microstructure on Ionic Transport in Silica-based Sodium containing Nanoconfined systems and their Electrochemical Performance as Electrodes

SAMANTA, SUBHA, MAITY, ANUPAM, Roy, Shubham, Giri, Saurav, Chakravorty, Dipankar

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 6.01 MB

2020

20

Compton profiles of atoms from electron densities via reciprocal form factors

Shridhar R Gadre, Subhas J Chakravorty

Journal:

Journal of Chemical Sciences

Year:

1986

Language:

english

File:

PDF, 384 KB

english, 1986

21

Hartree-Fock momentum expectation values for atoms and ions

Shridhar R. Gadre, Shridhar P. Gejji, Subhas J. Chakravorty

Journal:

Atomic Data and Nuclear Data Tables

Year:

1983

Language:

english

File:

PDF, 918 KB

english, 1983

22

Nonlocal-density approximation for exploring kinetic energy anisotropies

Gadre, Shridhar R., Koga, Toshikatsu, Chakravorty, Subhas J.

Journal:

Physical Review A

Year:

1987

Language:

english

File:

PDF, 375 KB

english, 1987

23

Nuisance Compounds, PAINS Filters, and Dark Chemical Matter in the GSK HTS Collection

Chakravorty, Subhas J., Chan, James, Greenwood, Marie Nicole, Popa-Burke, Ioana, Remlinger, Katja S., Pickett, Stephen D., Green, Darren V. S., Fillmore, Martin C., Dean, Tony W., Luengo, Juan I., Mac

Journal:

Year:

2018

Language:

english

File:

PDF, 4.17 MB

english, 2018

24

Development of a High-Throughput Cul3-Keap1 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Identifying Nrf2 Activators

Poore, Derek D., Hofmann, Glenn, Wolfe, Lawrence A., Qi, Hongwei, Jiang, Ming, Fischer, Michael, Wu, Zining, Sweitzer, Thomas D., Chakravorty, Subhas, Donovan, Brian, Li, Hu

Journal:

Year:

2018

Language:

english

File:

PDF, 994 KB

english, 2018

25

Coupled cluster calculations of equilibrium geometries, harmonic vibrational frequencies and the barrier height of ethane

Orlando Roberto-Neto, Subhas Chakravorty, Francisco B.C Machado

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 79 KB

english, 2002

26

The water dimer: correlation energy calculations

Chakravorty, Subhas J., Davidson, Ernest R.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.16 MB

english, 1993

27

Web Enabling Technology for the Design, Enumeration, Optimization and Tracking of Compound Libraries

Feuston, Bradley, Chakravorty, Subhas, Conway, John, Culberson, J., Forbes, Joseph, Kraker, Bryan, Lennon, Patricia, Lindsley, Craig, McGaughey, Georgia, Mosley, Ralph, Sheridan, Robert, Valenciano, M

Journal:

Current Topics in Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 561 KB

english, 2005

28

Reply to comment on “A possible definition of basis set superposition error”

Ernest R. Davidson, Subhas J. Chakravorty

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 226 KB

english, 1995

29

Ground-state correlation energies for two- to ten-electron atomic ions

Davidson, Ernest R., Hagstrom, Stanley A., Chakravorty, Subhas J., Umar, Verena Meiser, Fischer, Charlotte Froese

Journal:

Physical Review A

Year:

1991

Language:

english

File:

PDF, 563 KB

english, 1991

30

Ground-state correlation energies for atomic ions with 3 to 18 electrons

Chakravorty, Subhas J., Gwaltney, Steven R., Davidson, Ernest R., Parpia, Farid A., p Fischer, Charlotte Froese

Journal:

Physical Review A

Year:

1993

Language:

english

File:

PDF, 758 KB

english, 1993

31

Some novel characteristics of atomic information entropies

Gadre, Shridhar R., Sears, Stephen B., Chakravorty, Subhas J., Bendale, Rajeev D.

Journal:

Physical Review A

Year:

1985

Language:

english

File:

PDF, 249 KB

english, 1985

32

Refinement of the Asymptotic Z Expansion for the Ground-State Correlation Energies of Atomic Ions

Chakravorty, Subhas J., Davidson, Ernest R.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 404 KB

english, 1996

33

The self-interaction correction to the local spin density model: Effect on atomic momentum space properties

Shridhar R. Gadre, Subhas Chakravorty

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 328 KB

english, 1985

34

A comparative study of density functional models to estimate molecular atomization energies

Clementi, Enrico, Chakravorty, Subhas J.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 887 KB

english, 1990

35

Coulomb energy, total X-ray scattering intensities and average electron densities

Subhas J. Chakravorty, Shridhar R. Gadre

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 289 KB

english, 1987

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