A state‐selective multireference coupled‐cluster theory employing the single‐reference formalism P Piecuch, N Oliphant, L Adamowicz The Journal of chemical physics 99 (3), 1875-1900, 1993 | 388 | 1993 |
Multireference coupled‐cluster method using a single‐reference formalism N Oliphant, L Adamowicz The Journal of chemical physics 94 (2), 1229-1235, 1991 | 376 | 1991 |
Matrix-isolation infrared and theoretical studies of the glycine conformers SG Stepanian, ID Reva, ED Radchenko, MTS Rosado, M Duarte, ... The Journal of Physical Chemistry A 102 (6), 1041-1054, 1998 | 371 | 1998 |
Theory and application of explicitly correlated Gaussians J Mitroy, S Bubin, W Horiuchi, Y Suzuki, L Adamowicz, W Cencek, ... Reviews of modern physics 85 (2), 693-749, 2013 | 359 | 2013 |
Coupled‐cluster method truncated at quadruples N Oliphant, L Adamowicz The Journal of chemical physics 95 (9), 6645-6651, 1991 | 265 | 1991 |
State‐selective multireference coupled‐cluster theory employing the single‐reference formalism: Implementation and application to the H8 model system P Piecuch, L Adamowicz The Journal of chemical physics 100 (8), 5792-5809, 1994 | 256 | 1994 |
Analytical gradients for the coupled‐cluster method L Adamowicz, WD Laidig, RJ Bartlett International Journal of Quantum Chemistry 26 (S18), 245-254, 1984 | 235 | 1984 |
Conformational behavior of α-alanine. Matrix-isolation infrared and theoretical DFT and ab initio study SG Stepanian, ID Reva, ED Radchenko, L Adamowicz The Journal of Physical Chemistry A 102 (24), 4623-4629, 1998 | 227 | 1998 |
Matrix isolation IR spectroscopy of tautomeric systems and its theoretical interpretation: 2-hydroxypyridine/2 (1H)-pyridinone MJ Nowak, L Lapinski, J Fulara, A Les, L Adamowicz The Journal of Physical Chemistry 96 (4), 1562-1569, 1992 | 204 | 1992 |
Density Functional Theory Study of the Hydrogen-Bonded Pyridine−H2O Complex: A Comparison with RHF and MP2 Methods and with Experimental Data A Dkhissi, L Adamowicz, G Maes The Journal of Physical Chemistry A 104 (10), 2112-2119, 2000 | 203 | 2000 |
The implementation of the multireference coupled‐cluster method based on the single‐reference formalism N Oliphant, L Adamowicz The Journal of chemical physics 96 (5), 3739-3744, 1992 | 198 | 1992 |
Electron attachment to uracil: theoretical ab initio study NA Oyler, L Adamowicz The Journal of Physical Chemistry 97 (42), 11122-11123, 1993 | 179 | 1993 |
Born–Oppenheimer and non-Born–Oppenheimer, atomic and molecular calculations with explicitly correlated Gaussians S Bubin, M Pavanello, WC Tung, KL Sharkey, L Adamowicz Chemical reviews 113 (1), 36-79, 2013 | 174 | 2013 |
Matrix isolation FT-IR studies and ab initio calculations of hydrogen-bonded complexes of molecules modeling cytosine or isocytosine tautomers. 1. Pyridine and pyrimidine … A Destexhe, J Smets, L Adamowicz, G Maes The Journal of Physical Chemistry 98 (5), 1506-1514, 1994 | 172 | 1994 |
Non-Born–Oppenheimer calculations of atoms and molecules M Cafiero, S Bubin, L Adamowicz Physical Chemistry Chemical Physics 5 (8), 1491-1501, 2003 | 170 | 2003 |
Conformers of nonionized proline. Matrix-isolation infrared and post-hartree− fock ab initio study SG Stepanian, ID Reva, ED Radchenko, L Adamowicz The Journal of Physical Chemistry A 105 (47), 10664-10672, 2001 | 147 | 2001 |
Optimized virtual orbital space for high‐level correlated calculations L Adamowicz, RJ Bartlett The Journal of chemical physics 86 (11), 6314-6324, 1987 | 146 | 1987 |
Combined matrix-isolation infrared and theoretical DFT and ab initio study of the nonionized valine conformers SG Stepanian, ID Reva, ED Radchenko, L Adamowicz The Journal of Physical Chemistry A 103 (22), 4404-4412, 1999 | 139 | 1999 |
The infrared spectra of matrix isolated uracil and thymine: an assignment based on new theoretical calculations A Leś, L Adamowicz, MJ Nowak, L Lapinski Spectrochimica Acta Part A: Molecular Spectroscopy 48 (10), 1385-1395, 1992 | 134 | 1992 |
Combined FTIR matrix isolation and ab initio studies of pyruvic acid: proof for existence of the second conformer ID Reva, SG Stepanian, L Adamowicz, R Fausto The Journal of Physical Chemistry A 105 (19), 4773-4780, 2001 | 119 | 2001 |