Items where Author is "Banerjee, Manas"

Article

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1985) The INDO/2-AHP (average hole potential) method for excited states: comparison with the simple INDO/2-HP (hole potential) method International Journal of Quantum Chemistry, 28 (5). pp. 565-571. ISSN 0020-7608

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Molecular inversion in the nπ^∗ states: a theoretical investigation of some model systems in a semiempirical molecular orbital framework International Journal of Quantum Chemistry, 22 (4). pp. 775-782. ISSN 0020-7608

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Improved virtual orbitals in perturbative calculations: the case of an average double-hole potential model Chemical Physics Letters, 90 (3). pp. 211-214. ISSN 0009-2614

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Scaled one-electron hamiltonian model for open-shell LCAO-MO-SCF calculations: comparison with the restricted open-shell method of roothaan International Journal of Quantum Chemistry, 21 (5). pp. 905-915. ISSN 0020-760821

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Semiempirical molecular orbital studies on the electronic structure of molecules in excited states: the INDO/2-V_{N- 1} potential model : part I Journal of Molecular Structure: Theochem, 87 (1). pp. 31-41. ISSN 0166-1280

Bhattacharyya, Sankar Prasad ; Rakshit, S. C. ; Banerjee, Manas (1982) The INDO/2-AHP method for excited states : Part 2. The adiabatic proton affinities of formaldehyde in ^1,3nπ^∗ and ^1,3ππ^∗ states Journal of Molecular Structure, 91 . pp. 253-261. ISSN 0022-2860

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1980) Change of molecular structure in the excited states: a (CNDO/2) hole-potential study on phosphin Proceedings of the Indian Academy of Sciences - Chemical Sciences, 89 (6). pp. 549-559. ISSN 0253-4134

Bhattacharyya, Sankar Prasad ; Banerjee, Manas (1980) An average "hole-potential" method for studying properties of molecules in excited states: a test calculation on thiophosgene Chemical Physics Letters, 75 (1). pp. 57-61. ISSN 0009-2614

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1980) CNDO/2-VN-1 potential method for studying molecular properties in the excited states. A comparative study on the excited singlet and triplet nπ^∗ states of some thiocarbonyls Journal of Physical Chemistry, 84 (22). pp. 2843-2847. ISSN 0022-3654