| Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended … A Das, T Müller, F Plasser, H Lischka The Journal of Physical Chemistry A 120 (9), 1625-1636, 2016 | 99 | 2016 |
| COLUMBUS, an ab initio electronic structure program H Lischka, R Shepard, I Shavitt, R Pitzer, M Dallos, T Müller, PG Szalay, ... Release, 2017 | 49* | 2017 |
| COLUMBUS, an ab initio electronic structure program, release 7.0 H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... Vienna, AT, 2017 | 48 | 2017 |
| The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ... The journal of chemical physics 152 (13), 2020 | 44 | 2020 |
| Renner–Teller intersections along the collinear axes of polyatomic molecules: H2CN as a case study A Das, D Mukhopadhyay, S Adhikari, M Baer The Journal of chemical physics 133 (8), 2010 | 33 | 2010 |
| Kinetics of the strain-promoted oxidation-controlled cycloalkyne-1, 2-quinone cycloaddition: experimental and theoretical studies J Escorihuela, A Das, WJE Looijen, FL Van Delft, AJA Aquino, H Lischka, ... The Journal of Organic Chemistry 83 (1), 244-252, 2018 | 32 | 2018 |
| Lithium doped tubular structure in LiB 20 and LiB 20−: a viable global minimum W Liang, A Das, X Dong, Z Cui Physical Chemistry Chemical Physics 20 (23), 16202-16208, 2018 | 30 | 2018 |
| Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons AV Luzanov, F Plasser, A Das, H Lischka The Journal of Chemical Physics 146 (6), 2017 | 22 | 2017 |
| Structural and electronic properties of MB 22−(M= Na, K) clusters: tubular boron versus quasi-planar boron forms W Liang, A Das, X Dong, M Wang, Z Cui New Journal of Chemistry 43 (17), 6507-6512, 2019 | 19 | 2019 |
| Stable global tubular boron clusters in Na 2 B 18 and Na 2 B 18− X Dong, A Das, W Liang, M Wang, Z Cui RSC advances 9 (8), 4665-4670, 2019 | 19 | 2019 |
| The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster H Lischka, M Barbatti, F Siddique, A Das, AJA Aquino Chemical Physics 515, 472-479, 2018 | 17 | 2018 |
| The adiabatic‐to‐diabatic transformation angle and the berry phase for coupled jahn–teller/renner–teller systems: The F+ H2 as a case study A Das, D Mukhopadhyay, S Adhikari, M Baer International Journal of Quantum Chemistry 112 (13), 2561-2570, 2012 | 16 | 2012 |
| Jahn–Teller Intersections Induced by Introduction of Bending in Linear Polyatomics: Study with HCNH, a Selected Molecular System A Das, D Mukhopadhyay The Journal of Physical Chemistry A 116 (7), 1774-1785, 2012 | 16 | 2012 |
| Dressed adiabatic and diabatic potentials to study conical intersections for F+ H2 A Das, T Sahoo, D Mukhopadhyay, S Adhikari, M Baer The Journal of Chemical Physics 136 (5), 2012 | 15 | 2012 |
| A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections A Csehi, A Bende, GJ Halász, Á Vibók, A Das, D Mukhopadhyay, M Baer The Journal of Chemical Physics 138 (2), 2013 | 14 | 2013 |
| Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor–Donor Substituents on the Biradical Character of the Polycyclic Aromatic … A Das, T Muller, F Plasser, DB Krisiloff, EA Carter, H Lischka Journal of chemical theory and computation 13 (6), 2612-2622, 2017 | 13 | 2017 |
| Dressed Adiabatic and Diabatic Potentials To Study Topological Effects for F + H2 A Csehi, A Bende, GJ Halász, Á Vibók, A Das, D Mukhopadhyay, ... The Journal of Physical Chemistry A 118 (33), 6361-6366, 2014 | 13 | 2014 |
| Derivation of diabatic potentials for F+ H2 employing non-adiabatic coupling terms A Das, D Mukhopadhyay, S Adhikari, M Baer Chemical Physics Letters 517 (1-3), 92-97, 2011 | 13 | 2011 |
| Tuning the biradicaloid nature of polycyclic aromatic hydrocarbons: The effect of graphitic nitrogen doping in zethrenes A Das, M Pinheiro Jr, FBC Machado, AJA Aquino, H Lischka ChemPhysChem 19 (19), 2492-2499, 2018 | 12 | 2018 |
| Single and double carbon vacancies in pyrene as first models for graphene defects: a survey of the chemical reactivity toward hydrogen R Nieman, A Das, AJA Aquino, RG Amorim, FBC Machado, H Lischka Chemical Physics 482, 346-354, 2017 | 12 | 2017 |
Hans LischkaProfessor of Chemistry, Texas Tech UniversityVerified email at ttu.edu
