Anuja Rahalkar

Anuja Rahalkar

Technion Israel Institute of Technology - Haifa / Israel
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 358503
הטכניון – מכון טכנולוגי לישראל
person_outline Anuja Rahalkar's MOST POPULAR ARTICLES
1-) Enabling ab initio Hessian and frequency calculations of large molecules The Journal of Chemical Physics 129 (23), 2008
2-) Ab initio investigation of benzene clusters: Molecular tailoring approach The Journal of chemical physics 133 (16), 2010
3-) Molecular tailoring approach in conjunction with MP2 and RI‐MP2 codes: a comparison with fragment molecular orbital method Journal of Computational Chemistry 31 (13), 2405-2418, 2010
4-) Facilitating minima search for large water clusters at the mp2 level via molecular tailoring The Journal of Physical Chemistry Letters 3 (16), 2253-2258, 2012
5-) The predictive power of aromaticity: quantitative correlation between aromaticity and ionization potentials and HOMO–LUMO gaps in oligomers of benzene, pyrrole, furan, and … Physical Chemistry Chemical Physics 20 (21), 14808-14817, 2018