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1

Water nanodroplets: Predictions of five model potentials

Kazachenko, Sergey, Thakkar, Ajit J.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.21 MB

english, 2013

2

A new generalized expansion for the potential energy curves of diatomic molecules

Thakkar, Ajit J.

Journal:

The Journal of Chemical Physics

Year:

1975

Language:

english

File:

PDF, 942 KB

english, 1975

3

The electron—electron cusp condition for the spherical average of the intracule matrix

Ajit J. Thakkar, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 420 KB

english, 1976

4

Anisotropic electronic intracule densities for diatomics

Ajit J. Thakkar, A. N. Tripathi, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 428 KB

english, 1984

5

Gaussian vs. Slater representations of d orbitals: An information theoretic appraisal based on both position and momentum space properties

Philip E. Regier, Jacob Fisher, B. S. Sharma, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1985

Language:

english

File:

PDF, 868 KB

english, 1985

6

Analytical Hartree–Fock wave functions for the atoms Cs to Lr

Toshikatsu Koga, Katsutoshi Kanayama, Tadanori Watanabe, Takashi Imai, Ajit J. Thakkar

Journal:

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

Year:

2000

Language:

english

File:

PDF, 68 KB

english, 2000

7

Momentum-space properties of the neutral atoms from H through U

William M. Westgate, Robin P. Sagar, Abbas Farazdel, Vedene H. Smith Jr., Alfredo M. Simas, Ajit J. Thakkar

Journal:

Atomic Data and Nuclear Data Tables

Year:

1991

Language:

english

File:

PDF, 1.12 MB

english, 1991

8

Dipole and quadrupole moments of small molecules. An ab initio study using perturbatively corrected, multi-reference, configuration interaction wave functions

Peter Bündgen, Friedrich Grein, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 627 KB

english, 1995

9

Asymptotic expansions of the electron momentum densities of the atoms from hydrogen through lawrencium

Thakkar, Ajit J., Wonfor, Alison L., Pedersen, Ward A.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 480 KB

english, 1987

10

Moments and expansion coefficients of atomic electron momentum densities: numerical Hartree - Fock calculations for hydrogen to lawrencium

Koga, Toshikatsu, Thakkar, Ajit J

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

1996

Language:

english

File:

PDF, 113 KB

english, 1996

11

Quantum Chemistry || Many-electron systems

Year:

2014

Language:

english

File:

PDF, 369 KB

english, 2014

12

Aseptic Loosening of Porous Metaphyseal Sleeves and Tantalum Cones in Revision Total Knee Arthroplasty: A Systematic Review

Roach, Ryan P., Clair, Andrew J., Behery, Omar A., Thakkar, Savyasachi C., Iorio, Richard, Deshmukh, Ajit J.

Journal:

Journal of Knee Surgery

Year:

2020

Language:

english

File:

PDF, 819 KB

english, 2020

13

Kinetic energy analysis of atomic multiplets

Toshikatsu Koga, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 322 KB

english, 1996

14

Polarizabilities of heteroaromatic molecules: Azines revisited

Robert J. Doerksen, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 681 KB

english, 1996

15

Noninteger principal quantum numbers increase the efficiency of Slater-type basis sets

Toshikatsu Koga, Katsutoshi Kanayama, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 249 KB

english, 1997

16

Radial limit of lithium revisited

Toshikatsu Koga, Tomomi Tanabe, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 121 KB

english, 1997

17

Analytical Hartree–Fock wave functions subject to cusp and asymptotic constraints: He to Xe, Li+ to Cs+, H− to I−

Toshikatsu Koga, Katsutoshi Kanayama, Shinya Watanabe, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 147 KB

english, 1999

18

Examination of a new intermolecular potential function

Vedene H. Smith Jr., Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 278 KB

english, 1972

19

Mist: A New Interatomic Potential Function

Ajit J. Thakkar, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 515 KB

english, 1974

20

Mixed-pole terms in the anisotrophy of the long-range interaction coefficients for H2He and H2H2

Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 425 KB

english, 1977

21

On separation theorems for van der Waals interactions

A.C. Tanner, Ajit J. Thakkar, B. Linder

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 250 KB

english, 1983

22

Hyperpolarizabilities and polarizabilities of Li−1 and B+: finite-field coupled-cluster calculations

Edet F. Archibong, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 516 KB

english, 1990

23

Static polarizabilities and hyperpolarizabilities, and multipole moments for Cl2 and Br2. Electron correlation and molecular vibration effects

Edet F. Archibong, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 616 KB

english, 1993

24

Vibrational effects on cross sections for elastic scattering of X-rays and fast electrons by H2O molecules

Ruth E. Hoffmeyer, Ajit J. Thakkar, Hua Wei, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 564 KB

english, 1993

25

An improved potential energy curve for the C1Πu state of H2

Jacek Komasa, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 267 KB

english, 1994

26

Ring and other contributions to the higher virial coefficients

Ajit J. Thakkar, Vedene H. Smith Jr.

Journal:

Computer Physics Communications

Year:

1975

Language:

english

File:

PDF, 480 KB

english, 1975

27

Internally folded densities

Ajit J. Thakkar, Alfredo M. Simas, Vedene H. Smith Jr

Journal:

Chemical Physics

Year:

1981

Language:

english

File:

PDF, 593 KB

english, 1981

28

Pump-probe studies of the effects of permanent dipoles in one- and two-colour molecular excitations

A.E. Kondo, William J. Meath, Shahul H. Nilar, Ajit J. Thakkar

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 2.02 MB

english, 1994

29

Pentamers of formic acid

Amlan K. Roy, Ajit J. Thakkar

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 641 KB

english, 2005

30

Editorial

Clifford E. Dykstra, Ajit J. Thakkar, Manuel Yáñez

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 115 KB

english, 2011

31

Accurate electron-pair, momentum-space properties for the helium atom

Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 181 KB

english, 2003

32

Structures of the formic acid trimer

Amlan K Roy, Ajit J Thakkar

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 258 KB

english, 2004

33

Hydrogen-bonded complexes of glycolic acid with one and two water molecules

Ajit J. Thakkar, Noureddin El-Bakali Kassimi, Shaowen Hu

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 368 KB

english, 2004

34

Formic acid tetramers: a structural study

Amlan K Roy, Ajit J Thakkar

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 516 KB

english, 2004

35

The polarizability of sodium: theory and experiment reconciled

Ajit J. Thakkar, Concetta Lupinetti

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 115 KB

english, 2005

36

Clusters of glycolic acid and 16 water molecules

Amlan K. Roy, James R. Hart, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 786 KB

english, 2007

37

Structural characteristics of formic acid dodecamers,

Shamus A. Blair, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 1.70 MB

english, 2008

38

A simple additive model for polarizabilities: Application to amino acids

Noureddin El-Bakali Kassimi, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 189 KB

english, 2009

39

Improved minima-hopping. TIP4P water clusters, with

Sergey Kazachenko, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 501 KB

english, 2009

40

Simple models for electron correlation energies in atoms

Shane P. McCarthy, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 227 KB

english, 2010

41

How many intramolecular hydrogen bonds does the oxalic acid dimer have?

Shamus A. Blair, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 495 KB

english, 2010

42

Are quasi-relativistic kinetic energies useful?

Toshikatsu Koga, Takayuki Yoshida, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 85 KB

english, 2004

43

Nitric acid dimers

James R. Hart, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 110 KB

english, 2005

44

Molecular quantum mechanics to biodynamics: Essential connections

Michael E. Colvin, Christopher J. Cramer, Clifford E. Dykstra, Jan H. Jensen, Samuel Krimm, Jean-Louis Rivail, Ajit J. Thakkar, Manuel Yáñez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 211 KB

english, 2006

45

Dedication

Sourav Pal, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 67 KB

english, 2006

46

Editorial announcement

Clifford E. Dykstra, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 108 KB

english, 2007

47

Conceptual aspects of electron densities and density functionals

Pratim K. Chattaraj, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 96 KB

english, 2010

48

MacLaurin expansions of electron momentum densities for 78 diatomic molecules: a numerical Hartree–Fock study

Amlan K. Roy, Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

49

Compact Hylleraas-type wavefunctions for the lithium isoelectronic sequence

Ajit J Thakkar, Toshikatsu Koga, Tomomi Tanabe, Hirohide Teruya

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 89 KB

english, 2002

50

Hydrogen bonding in the glycolic acid dimer

Noureddin ElBakali-Kassimi, Edet F. Archibong, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 290 KB

english, 2002

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