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21.
Principles and applications of density functional theory in inorganic chemistry II edited by D. M. P. Mingos

by Mingos, D. M. P.

Series: Structure and bonding 113Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Verlag Springer 2004Availability: Items available for loan: NISER LIBRARY (2)Call number: 544.18(083) MIN-P, ...

22.
Chemical reactivity theory: a density functional view edited by Pratim kumar Chattaraj

by Chattaraj, Pratim kumar.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Boca raton CRC 2009Availability: Items available for loan: NISER LIBRARY (1)Call number: 544.424 CHA-C.

23.
Quantal density functional theory

by Sahni, Viraht.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Berlin Springer-Verlag 2010Availability: Items available for loan: NISER LIBRARY (3)Call number: 531.145 SAH-Q, ... Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 SAH-Q.

24.
Time-dependent density-functional theory: concept and applications Carsten A. Ullrich

by Ullrich, Carsten A.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Orford 2013Availability: Items available for loan: NISER LIBRARY (3)Call number: 531.75 MAR-T, ... Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 MAR-T.

25.
Quantal density functional theory ii: approximation methods and applications Viraht Sahni

by Sahni, Viraht.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: London Springer 2010Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 SAH-Q.

26.
Quantal density functional theory ii: approximation methods and applications Viraht Sahni

by Sahni, Viraht.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: London Springer 2010Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 SAH-Q.

27.
Time-dependent density-functional theory: concept and applications Carsten A. Ullrich

by Ullrich, Carsten A.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Orford 2013Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 MAR-T.

28.
Density functional theory IV: Theory of chemical reactivity

by edited by Nalewajski, R.F.

Series: Topics in current chemistry. 183 Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer 1996Availability: Items available for loan: NISER LIBRARY (2)Call number: 531.75:544.18 NAL-D, ... Items available for reference: NISER LIBRARY: R (REFERENCE) (2)Call number: 531.75:544.18 NAL-D, ...

29.
Density functional theory III : Interpretation,atoms, molecules and clusters

by edited by Nalewajski, R.F.

Series: Topics in current chemistry. 182 Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer 1996Availability: No items available.

30.
Electronic structure methods for complex materials

by Ching, Wai-yim | Rulis, Paul.

Edition: 1st ed.Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: UK Oxford University Press 2012Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 CHI-E. Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 CHI-E.

31.
Electronic density functional theory: recent progress and new directions

by edited by Dobson, J.F | Vignale, G | Das, M.P.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer science 1998Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 DOB-E. Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 DOB-E.

32.
Fundamentals of time-dependent density functional theory

by Marques, M.A.L. [et al.] | Maitra, N.T | Nogueira, F.M.S | Gross, E.K.U | Rubio, A.

Series: Lecture notes in physics. 837 Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: New York Springer 2011Availability: Items available for loan: NISER LIBRARY (1)Call number: 531.75 MAR-F. Items available for reference: NISER LIBRARY: R (REFERENCE) (1)Call number: 531.75 MAR-F. Not available: NISER LIBRARY: Checked out (1).

33.
Studying pauli and coulomb correlations in excited-state density functional theory

by Roy, Amit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar NISER 2012Dissertation note: A thesis submitted in partial fulfillment of the requirements for the degree of M.Sc. M.Sc. School of Physical Sciences 2012 Availability: Items available for loan: NISER LIBRARY (1)Call number: 530.1 ROY-S.

34.
Design and application of the Meta-GGA and range-separated hybrid exchange-correlation functionals

by Patra, Bikash | Samal, Prasanjit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 530.1 PAT-D.

35.
Self energy corrected tight-binding framework in directed hybrid orbital basis from first principles

by Hossain, Manoar | Bhattacharjee, Joydeep.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 539.1 HOS-S.

36.
N-substituted and N-unsubstituted porphyrinoids: synthesis, structure, spectroscopic characterization and applications

by Patra, Sajal Kumar | Kar, Sanjib.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 543.429.23 PAT-N.

37.
Computational studies of aromatic substitution and gas-surface reactions

by Sharma, Nishant | Lourderaj, U.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 544.72.02 SHA-C.

38.
Advance density functionals based on model exchange holes for a wide range of molecular and sold state systems

by Patra, Abhilash | Samal, Prasanjit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2021Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 533.6.055 PAT-A.

39.
Metal-free approaches towards the construction of Heterocycles

by Bera, Shyamal Kanti | Mal, Prasenjit.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2022Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 547.7 BER-M.

40.
Synthesis and spectroscopic characterization of metallocorroles and porphyrins and their applications

by Mondal, Sruti | Kar, Sanjib.

Material type: Text Text; Format: print ; Literary form: Not fiction Language: English Publication details: Bhubaneswar: NISER, 2022Availability: Items available for reference: NISER LIBRARY: Not for loan (1)Call number: 543.645.4 MON-S.

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