Introduction to computational chemistry F Jensen John wiley & sons, 2017 | 8649 | 2017 |
A spin correction procedure for unrestricted Hartree-Fock and Møller-Plesset wavefunctions for singlet diradicals and polyradicals K Yamaguchi, F Jensen, A Dorigo, KN Houk Chemical physics letters 149 (5-6), 537-542, 1988 | 847 | 1988 |
Polarization consistent basis sets: Principles F Jensen The Journal of Chemical Physics 115 (20), 9113-9125, 2001 | 738 | 2001 |
Measurement and laser control of attosecond charge migration in ionized iodoacetylene PM Kraus, B Mignolet, D Baykusheva, A Rupenyan, L Horný, EF Penka, ... Science 350 (6262), 790-795, 2015 | 587 | 2015 |
Polarization consistent basis sets. II. Estimating the Kohn–Sham basis set limit F Jensen The Journal of chemical physics 116 (17), 7372-7379, 2002 | 461 | 2002 |
Basis set convergence of nuclear magnetic shielding constants calculated by density functional methods F Jensen Journal of chemical theory and computation 4 (5), 719-727, 2008 | 386 | 2008 |
Polarization consistent basis sets. III. The importance of diffuse functions F Jensen The Journal of chemical physics 117 (20), 9234-9240, 2002 | 375 | 2002 |
Structure and stability of C24 and B12N12 isomers F Jensen, H Toftlund Chemical physics letters 201 (1-4), 89-96, 1993 | 333 | 1993 |
Towards an understanding of the mechanism of electron-capture dissociation: a historical perspective and modern ideas RA Zubarev, KF Haselmann, B Budnik, F Kjeldsen, F Jensen European Journal of Mass Spectrometry 8 (5), 337-349, 2002 | 314 | 2002 |
Atomic orbital basis sets F Jensen Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (3), 273-295, 2013 | 285 | 2013 |
Segmented contracted basis sets optimized for nuclear magnetic shielding F Jensen Journal of Chemical Theory and Computation 11 (1), 132-138, 2015 | 272 | 2015 |
Unifying general and segmented contracted basis sets. Segmented polarization consistent basis sets F Jensen Journal of chemical theory and computation 10 (3), 1074-1085, 2014 | 269 | 2014 |
The basis set convergence of spin− spin coupling constants calculated by density functional methods F Jensen Journal of Chemical Theory and Computation 2 (5), 1360-1369, 2006 | 266 | 2006 |
Polarization consistent basis sets. V. The elements Si–Cl F Jensen, T Helgaker The Journal of chemical physics 121 (8), 3463-3470, 2004 | 231 | 2004 |
Dissociative capture of hot (3–13 eV) electrons by polypeptide polycations: an efficient process accompanied by secondary fragmentation F Kjeldsen, KF Haselmann, BA Budnik, F Jensen, RA Zubarev Chemical Physics Letters 356 (3-4), 201-206, 2002 | 230 | 2002 |
Structure and stability of complexes of glycine and glycine methyl analogs with H+, Li+, and Na+ F Jensen Journal of the American Chemical Society 114 (24), 9533-9537, 1992 | 210 | 1992 |
Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions M Bregnhøj, M Westberg, F Jensen, PR Ogilby Physical Chemistry Chemical Physics 18 (33), 22946-22961, 2016 | 202 | 2016 |
Estimating the Hartree—Fock limit from finite basis set calculations F Jensen Theoretical Chemistry Accounts 113, 267-273, 2005 | 182 | 2005 |
Reaction of organic sulfides with singlet oxygen. A revised mechanism F Jensen, A Greer, EL Clennan Journal of the American Chemical Society 120 (18), 4439-4449, 1998 | 167 | 1998 |
The dipole moment of carbon monoxide GE Scuseria, MD Miller, F Jensen, J Geertsen The Journal of chemical physics 94 (10), 6660-6663, 1991 | 159 | 1991 |