P. Chandra

发表

Toward the variational treatment of spin‐orbit and other relativistic effects for heavy atoms and molecules

B. A. Hess, R. Buenker, P. Chandra, 1986 .

Dipole moment derivatives from MINDO/3 semi-empirical MO calculations

Parul Pandey, Surjit Singh, P. Chandra, 1977 .

Spin–orbit corrections to NMR shielding constants from density functional theory. How important are the two-electron terms?

B. A. Hess, B. Schimmelpfennig, M. Kaupp, 1998 .

Relativistic ab initio CI study of the X1Σ+ and A1Σ+ states of the AgH molecule

B. A. Hess, P. Chandra, 1987 .

Dirac vector model and variational treatments of proton spin-spin coupling across three bonds

P. Chandra, P. Narasimhan, 1972 .

Ab initio molecular orbital calculations of nuclear spin–spin coupling constants in PH−2, PH3, PH+4 and P2H4

P. Chandra, D. Chakraborty, 1998 .

Valence bond variational calculations of the proton spin-spin couplings in ethylene

P. Chandra, P. Narasimhan, 1967 .

Electron correlation and relativistic effects in atomic structure calculations of Th+, Th2+ ions

S. K. Roy, S. N. Datta, R. Prasad, 2012 .

Ab initio mo calculation of nuclear quadrupole coupling constants of 2H, 7Li and 35Cl in LiCl and HCl molecules

P. Chandra, A. Lal, V. Keshari, 1989 .

Theoretical study of isotropic hyperfine coupling constants in small radicals by MINDO/3 method

P. Chandra, P. Pandey, 1979 .

The role of bond centred function in calculation of nuclear quadrupole coupling constant of 14N and 2H nuclei in HCN and HNC molecules

P. Chandra, G. Prasad, V. Keshari, 1989 .

Reply to the Comments of Jan Almlöf, Knut Faegri, and Hans H. Grelland and Alfredo Simas and Vedene H. Smith, Jr.

B. A. Hess, R. Buenker, P. Chandra, 1984 .

Ab initio calculation of the ground state and the first excited state system of Br including spin-orbit coupling and relativistic correction to the kinetic energy operator

B. A. Hess, R. Buenker, P. Chandra, 1984 .

Ground and valence excited states of C2N and CN2 transients: Ab initio geometries, electronic structures, and molecular properties

P. Chandra, Dr Rajendra Prasad, 2001 .

Ab initio MO studies of nuclear spin–spin interactions in CH3F, SiH3F and CH3OH

P. Chandra, A. Nair, 1995 .

Anisotropic Photodissociation of Cadmium Dimethyl

R. Bersohn, P. Chandra, C. Jonah, 1971 .

Photolysis Mapping Studies of Aliphatic Carbonyl Compounds

R. Bersohn, P. Chandra, C. Jonah, 1971 .

Ab initio MO calculations of nuclear quadrupole coupling constants of 35Cl and 2H nuclei in CH3Cl, CH2Cl2, CCl2 and CHCl molecules

A. Jain, P. Chandra, 1995 .

Ground and excited states of HNC, NH, and NH2 transients: Ab initio geometries, electronic structures, and molecular properties

P. Chandra, Dr Rajendra Prasad, 2001 .

Ab initio MRD CI calculation of the zero-field splitting of the 2Π ground state of the CBr molecule

B. A. Hess, R. Buenker, P. Chandra, 1985 .

Matrix representation of the relativistic kinetic energy operator: two-component variational procedure for the treatment of many-electron atoms and molecules

Robert J. Buenker, B. A. Hess, R. Buenker, 1984 .

Calculation of nuclear spin-spin coupling constants by SCF perturbation theory with MINDO/3 approximation

P. Chandra, P. Pandey, 1978 .

Electron correlation and relativistic effects in atomic structure calculations of the thorium atom.

S. K. Roy, R. Prasad, P. Chandra, 2011, The Journal of chemical physics.

A finite-nucleus model for relativistic electronic structure calculations using a Douglas-Kroll-transformed Hamiltonian

B. A. Hess, P. Chandra, 1994 .

Ab initio studies of nuclear quadrupole couplings in N2H2 and NH3 molecules

P. Chandra, G. Prasad, A. Lal, 1989 .

Ab initio mo calculation of nuclear quadrupole coupling constant of 2H and 17O nuclei in water molecule

S. Karna, P. Chandra, V. Keshari, 1989 .

Ab initio MO studies of nuclear spin-spin coupling constants in CH4, SiH4, AlH4− and GeH4 systems

P. Chandra, A. Nair, 1994 .

Theoretical study of the generalized oscillator strength for the A 1B1-X 1A1 transition in the water molecule

Robert J. Buenker, C. Chabalowski, R. Buenker, 1989 .

Valence bond calculations of vicinal proton coupling constants in cyclopropane

P. Chandra, P. Narasimhan, 1971 .

Relativistic integrals over Breit–Pauli operators using general Cartesian Gaussian functions. I. One‐electron interactions

R. Buenker, P. Chandra, 1983 .

Perturbation approach to the proton spin coupling in the ethane fragment

P. Chandra, P. Narasimhan, 1966 .