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Chandrasekhar, Jayaraman, Das, Puspendu Kumar (1992) Band structures and molecular properties of polymers from finite cluster calculations with cyclic periodic boundary conditions. The Journal of Physical Chemistry, 96 (2). 679-685 doi:10.1021/j100181a031

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Reference TypeJournal (article/letter/editorial)
TitleBand structures and molecular properties of polymers from finite cluster calculations with cyclic periodic boundary conditions
JournalThe Journal of Physical Chemistry
AuthorsChandrasekhar, JayaramanAuthor
Das, Puspendu KumarAuthor
Year1992 (January)Volume96
Issue2
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100181a031Search in ResearchGate
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Mindat Ref. ID8024209Long-form Identifiermindat:1:5:8024209:1
GUID0
Full ReferenceChandrasekhar, Jayaraman, Das, Puspendu Kumar (1992) Band structures and molecular properties of polymers from finite cluster calculations with cyclic periodic boundary conditions. The Journal of Physical Chemistry, 96 (2). 679-685 doi:10.1021/j100181a031
Plain TextChandrasekhar, Jayaraman, Das, Puspendu Kumar (1992) Band structures and molecular properties of polymers from finite cluster calculations with cyclic periodic boundary conditions. The Journal of Physical Chemistry, 96 (2). 679-685 doi:10.1021/j100181a031
In(1992, January) The Journal of Physical Chemistry Vol. 96 (2) American Chemical Society (ACS)

See Also

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Cioslowski, J. (1990) Bulk properties from finite‐cluster calculations. V. Pseudo‐Wannier orbitals from molecular orbital calculations on finite clusters. The Journal of Chemical Physics, 92 (2). 1236-1239 doi:10.1063/1.458132
Kavita, K., Das, Puspendu K. (2001) Photodissociation of Partially Fluorinated Alkyl Iodides in Their A-Band. The Journal of Physical Chemistry A, 105 (2). 315-318 doi:10.1021/jp0017036
Yeh, In-Chul, Hummer, Gerhard (2004) System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions. The Journal of Physical Chemistry B, 108 (40). 15873-15879 doi:10.1021/jp0477147
Kolafa, Jiří (1992) Finite size effects for liquids in cyclic boundary conditions. Molecular Physics, 75. 577-586 doi:10.1080/00268979200100411
Ray, Paresh Chandra, Das, Puspendu Kumar (1995) First-Order Hyperpolarizabilities of Sulfophthalein Dyes. The Journal of Physical Chemistry, 99 (39). 14414-14417 doi:10.1021/j100039a032
Das, Puspendu Kumar (2006) Chemical Applications of Hyper-Rayleigh Scattering in Solution. The Journal of Physical Chemistry B, 110 (15). 7621-7630 doi:10.1021/jp0562983
Stanton, Richard E. (1992) Fullerene structures and reactions: MNDO calculations. The Journal of Physical Chemistry, 96 (1). 111-118 doi:10.1021/j100180a025
Sen, Avijit, Ray, Paresh Chandra, Das, Puspendu Kumar, Krishnan, Varadachari (1996) Metalloporphyrins for Quadratic Nonlinear Optics. The Journal of Physical Chemistry, 100 (50). 19611-19613 doi:10.1021/jp962427r
Ray, Paresh Chandra, Das, Puspendu Kumar (1995) Ka Values of Weak Organic Acids in Protic Solvents Obtained from Their First Hyperpolarizabilities in Solution. The Journal of Physical Chemistry, 99 (51). 17891-17895 doi:10.1021/j100051a014
Smith, Scott F., Chandrasekhar, Jayaraman, Jorgensen, William L. (1983) Ab initio study of the structures and binding energies of aluminum monocation complexes. The Journal of Physical Chemistry, 87 (11). 1898-1902 doi:10.1021/j100234a014
Senapati, Dulal, Maity, Sandip, Das, Puspendu K. (2004)  I*(2P1/2) and Cl*(2P1/2) Production from Chloroiodobenzenes in the Ultraviolet†. The Journal of Physical Chemistry A, 108 (39). 7949-7953 doi:10.1021/jp049345k
 
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