Publication list for Frank Jensen

Last update: Feb. 18, 2024


Publications in International Journals, Reviews/Perspectives are indicated with prefix R

207) A. E. Hillers-Bendtsen, F. Jensen, K. V. Mikkelsen, J. Olsen, P. Jorgensen "Cluster perturbation theory IX: Perturbation series for the coupled cluster singles and doubles ground-state energy." J. Chem. Phys. 000 (2024) accepted.

206) A. Tehlar, J. T. Casanova, A. Dnestryan, F. Jensen, L. B. Madsen, O. I. Tolstikhin, H. J. Worner "High-harmonic spectroscopy of impulsively aligned 1,3-cyclohexadiene: signatures of attosecond charge migration." Struct. Dyn. accepted

205) J. Thogersen, F. Madzharova, T. Weidner, F. Jensen "Aqueous pyruvate partly dissociates when exposed to deep ultraviolet irradiation, but is resilient to near ultraviolet excitation." Nature Comm. accepted

204) F. Jensen "Basis Set Superposition Errors are Partly Basis Set Imbalances." J. Chem. Theory Comp. 20 (2024) 767-774.

203) H. Hasegawa, A. Matsuda, T. Morishita, L. B. Madsen, F. Jensen, O. I. Tolstikhin, and A. Hishikawa1 "Dissociative ionization and Coulomb explosion of CH4 in two-color asymmetric intense laser fields." Phys. Chem. Chem. Phys. 25 (2023) 25408-25419.

202) Q. Pitteloud, P. Wind, S. R. Jensen, L. Frediani, F. Jensen "Quantifying Intramolecular Basis Set Superposition Errors." J. Chem. Theory Comp. 19 (2023) 5863-5871.

201) L. Kranabetter, H. H. Kristensen, A. Ghazaryan, C. A. Schouder, A. S. Chatterley, P. Janssen, F. Jensen, R. E. Zillich, M. Lemeshko, H. Stapelfeldt "Nonadiabatic laser-induced alignment dynamics of molecules on a surface." Phys. Rev. Lett. 131 (2023) 053201.

200) F. Jensen "Unifying charge-flow polarization models." J. Chem. Theory Comp. 19 (2023) 4047-4073.

199) J. Thogersen, T. Weidner, F. Jensen "The primary photolysis of aqueous hydrogen carbonate and carbonate anions." Phys. Chem. Chem. Phys. 25 (2023) 14104-14116.

198) J. Thogersen, A. S. Chatterley, T. Weidner, F. Jensen "The peptide bond of aqueous dipeptides is resilient to deep-ultraviolet irradiation." J. Am. Chem. Soc. 145 (2023) 9777-9785.

197) L. Viegas, F. Jensen "A computer-based solution to the oxidation kinetics of fluorinated and oxygenated volatile organic compounds." Environ. Sci.: Atmos. 3 (2023) 855-871

196) F. Jensen "Basis Set Extrapolation of Vibrational Frequencies." J. Phys. Chem. A 127 (2023) 2859-2863.

195) H. H. Kristensen, L. Kranabetter, C. A. Schouder, J. Arlt, F. Jensen, H. Stapelfeldt "Laser-induced Coulomb Explosion Imaging of Alkali Dimers on Helium Nanodroplets." Phys. Rev. A 107 (2023) 023104

194) K. Strunge, F. Madzharova, F. Jensen, T. Weidner, Y. Nagata "Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity-Velocity Correlation Functions." J. Phys. Chem. B 126 (2022) 8571-8578.

193) J. Thogersen, T. Weidner, F. Jensen "The primary photo-dissociation dynamics of aqueous formamide and dimethylformamide." Phys. Chem. Chem. Phys. 24 (2022) 24695-24705.

192) F. Thorning, F. Jensen, P. R. Ogilby "The oxygen-organic molecule photosystem: revisiting the past, recalibrating the present, and redefining the future." Photochem. Photobiol. Sciences 21 (2022) 1133-1141.

191) H. Fujise, M. Uemura, H. Hasegawa, D. Ikeya, A. Matsuda, T. Morishita, L. B. Madsen, F. Jensen, O. I. Tolstikhin, A. Hishikawa "Helicity-dependent dissociative tunneling ionization of CF4 in multicycle circularly polarized intense laser fields." Phys. Chem. Chem. Phys. 24 (2022) 8962-8969.

190) J. Thogersen, T. Weidner, F. Jensen "The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO2 and CO2.-." Phys. Chem. Chem. Phys. 24 (2022) 6880-6889.

189) H. Hasegawa, T. Walmsley, A. Matsuda, T. Morishita, L. B. Madsen, F. Jensen, O. I. Tolstikhin, A. Hishikawa "Asymmetric dissociative tunneling ionization of tetrafluoromethane in omega-2omega intense laser fields." Frontiers in Chemistry 10 (2022) 857863.

188) F. Thorning, F. Jensen, P. R. Ogilby "Geometry Dependence of Spin-Orbit Coupling in Complexes of Molecular Oxygen with Atoms, H2, or Organic Molecules." J. Phys. Chem. A 126 (2022) 834-844.

R187) F. Jensen "Using Atomic Charges to Model Molecular Polarization." Phys. Chem. Chem. Phys. 24 (2022) 1926-1943.

R186) F. Jensen "Computational Chemistry: The Exciting Opportunities and the Boring Details." Isr. J. Chem, Rosarium Issue, Invited contribution 62 (2022) e202100027.

185) S. Strazdaite, S. J. Roeters, A. Sakalauskas, T. Sneideris, J. Kirschner, K. B. Pedersen, B. Schiott, F. Jensen, T. Weidner, V. Smirnovas, G. Niaura "Interaction of Amyloid-beta-(1-42) Peptide and Its Aggregates with Lipid/Water Interfaces Probed by Vibrational Sum-Frequency Generation Spectroscopy." J. Phys. Chem. B 125 (2021) 11208-11218.

184) F. Thorning, K. Strunge, F. Jensen, P. R. Ogilby "The Complex between Molecular Oxygen and an Organic Molecule: Modeling Optical Transitions to the Intermolecular Charge-Transfer State." Phys. Chem. Chem. Phys. 23 (2021) 15038-15048.

183) M. A. Ambroise, A. Dreuw, F. Jensen "Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy using Correlated Wave Function Methods." J. Chem. Theory Comp. 17 (2021) 2832-2842.

182) J. Thogersen, T. Weidner, F. Jensen "The primary photolysis dynamics of oxalate in aqueous solution: decarboxylation." Phys. Chem. Chem. Phys. 23 (2021) 10040-10050.

181) J. Thogersen, V. Vaida, M. Bregnhoej, T. Weidner, F. Jensen "The primary photo-dissociation dynamics of lactate in aqueous solution: decarboxylation prevents dehydroxylation." Phys. Chem. Chem. Phys. 23 (2021) 4555-4568.

180) P. Jakobsen, F. Jensen "Representing exact electron densities by a single Slater determinant in finite basis sets." J. Chem. Theory Comp. 17 (2021) 269-276.

179) C. A. Schouder, A. S. Chatterley, L. B. Madsen, F. Jensen, H. Stapelfeldt "Laser-induced Coulomb explosion imaging of the CS2 dimer: The effect of non-Coulombic interactions." Phys. Rev. A 102 (2020) 063125.

178) P. P. Poier, F. Jensen "Polarizable charges in a generalized Born reaction potential." J. Chem. Phys. 153 (2020) 024111.

177) L. Viegas, F. Jensen "Reactivity of alpha,omega-Dihydrofluoropolyethers toward OH Predicted by Multiconformer Transition State Theory and the Interacting Quantum Atoms Approach." J. Phys. Chem. A 124 (2020) 3460-3470.

176) C. Kjaer, R. Hansson, C. Hedberg, F. Jensen, H. H. Jensen, S. B. Nielsen "Gas-phase action and fluoroscence spectroscopy of mass-selected fluoroscein monoanions and two derivatives." Phys. Chem. Chem. Phys. 22 (2020) 9210-9215.

175) F. Thorning, F. Jensen, P. R. Ogilby "Modelling the effect of solvent on nonradiative singlet oxygen deactivation: Going beyond weak coupling in intermolecular electronic-to-vibrational energy transfer." J. Phys. Chem. B 124 (2020) 2245-2254.

174) M. M. Madsen, F. Jensen, J. Thogersen "The primary photo-dissociation dynamics of amino acids in aqueous solution: breaking the Calpha-bond." Phys. Chem. Chem. Phys. 22 (2020) 2307-2318.

173) H. Triki, B. Nagy, J. Overgaard, F. Jensen, S. Kamoun "Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex." Struct. Chem. 31 (2020) 103-114.

172) P. Jakobsen, F. Jensen "Probing basis set requirements for calculating hyperfine coupling constants." J. Chem. Phys. 151 (2019) 174107

171) P. P. Poier, L. Lagardere, J.-P. Piquemal, F. Jensen "Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model." J. Chem. Theory Comp. 15 (2019) 6213-6224

170) A. I. Dnestryan, O. I. Tolstikhin, F. Jensen, L. B. Madsen "Torsional effects in strong-field ionization of molecules." Phys. Rev. Research 1 (2019) 023018

169) P. P. Poier, F. Jensen "Including Implicit Solvation in the Bond Capacity Polarization Model." J. Chem. Phys. 151 (2019) 114118.

168) P. P. Poier, F. Jensen "Describing Molecular Polarizability by a Bond Capacity Model." J. Chem. Theory Comp. 15 (2019) 3093-3107.

167) M. M. Madsen, F. Jensen, S. J. K. Jensen, J. Thogersen "The primary photo-dissociation dynamics of carboxylate anions in aqueous solution: Decarboxylation." Phys. Chem. Chem. Phys. 21 (2019) 7358-7366.

166) M. Bregnhoej, K. Strunge, R. J. Soerensen, M. Stroebele, T. Hummel, H.-J. Meyer, F. Jensen, P. R. Ogilby "Tungsten Iodide Clusters as Singlet Oxygen Photosensitizers: Exploring the Domain of Resonant Energy Transfer at 1 eV." J. Phys. Chem. A 123 (2019) 1730-1739.

165) M. A. Ambroise, F. Jensen "Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy by the Delta-SCF Approach." J. Chem. Theory Comp. 15 (2019) 325-337.

164) A. I. Dnestryan, O. I. Tolstikhin, L. B. Madsen, F. Jensen "Structure factors for tunneling ionization rates of molecules: General grid-based methodology and convergence studies." J. Chem. Phys. 149 (2018) 164107.

163) F. Jensen "Method Calibration or Data Fitting?." J. Chem. Theory Comp. 14 (2018) 4651-4661.

162) P. A. Aggelund, S. P. A. Sauer, F. Jensen "Development of polarization consistent basis sets for spin-spin coupling constant calculations for the atoms Li, Be, Na and Mg." J. Chem. Phys. 149 (2018) 044117.

161) M. T. Pedersen, F. Jensen, J. Skibsted "Structural Investigation of Yeelimite, Ca4Al6O12SO4, by 27Al MAS and MQMAS NMR at Different Magnetic Fields." J. Phys. Chem. C 122 (2018) 12077-12089.

160) C. Kumar, H. Fliegl, F. Jensen, A. M. Teale, S. Reine, T. Kjaergaard "Accelerating Kohn-Sham Response Theory using Density Fitting and the Auxiliary-Density-Matrix Method." Int. J. Quant. Chem. 118 (2018) e25639.

R159) B. Nagy, F. Jensen "Basis Sets in Quantum Chemistry." Reviews in Computational Chemistry 30 (2017) 93-150.

158) M. Finker, S. Lopez, D. U. Nielsen, K. Daasbjerg, F. Jensen, T. Skrydstrup "Experimental and theoretical studies on the reduction of CO2 to CO with chloro(methyl)disilane components from the direct process." Synlett. 28 (2017) 2439-2444.

157) I. Harczuk, B. Nagy, F. Jensen, O. Vahtras, H. Agren "Local decomposition of imaginary polarizabilities and dispersion coefficients." Phys. Chem. Chem. Phys. 19 (2017) 20241-20250.

156) L. B. Madsen, F. Jensen, A. I. Dnestryan, O. I. Tolstikhin "Structure factors for tunneling-ionization rates of molecules: General Hartree-Fock-based integral representation." Phys. Rev. A 96 (2017) 013423.

155) F. Jensen "How Large is the Elephant in the Density Functional Theory Room?" J. Phys. Chem. A 121 (2017) 6104-6107; arXiv 1704.08832 (2017)

154) E. Sedghamiz, B. Nagy, F. Jensen "Probing the importance of charge flux in force field modelling." J. Chem. Theory Comp. 13 (2017) 3715-3721.

153) F. Jensen "Using Valence Bond Methods to Estimate Intramolecular Basis Set Superposition Errors." J. Chem. Phys. 146 (2017) 184109.

152) E. R. Warrick, J. E. Baekhoej, W. Cao, A. P. Fidler, F. Jensen, L. B. Madsen, S. R. Leone, D. Neumark "Attosecond Transient Absorption Spectroscopy of Molecular Nitrogen: Vibrational Coherences in the b-prime 1Sigmau+ State." Chem. Phys. Lett. 683 (2017) 408-415.

151) N. Villadsen, K. Jacobsen, U. Keiding, E. Weibel, B. Christiansen, T. Vosegaard, M. Bjerring, F. Jensen, M. Johannsen, T. Toerring, T. Poulsen "Synthesis of ent-BE-43547A1 reveals a potent hypoxia-selective anti-cancer agent and uncovers the biosynthetic origin of the APD-CLD natural products." Nature Chemistry 9 (2017) 264-272.

150) J. Thogersen, A. Colleta, S. R. Keiding, F. Jensen, N. Jones, S. V. Hoffmann, S. J. K. Jensen "Protonation of Aqueous Alanine by Photoionization of Water." Phys. Chem. Chem. Phys. 19 (2017) 1560-1570.

149) B. M. Paz, L. Klier, L. Naesborg, V. H. Lauridsen, F. Jensen, K. A. Jorgensen "Enantioselective Organocatalytic Cascade Approach to Different Classes of Benzofused Acetals." Chem. Eur. J. 22 (2016) 16808-16816.

148) M. Bregnhoej, M. Westberg, F. Jensen, P. R. Ogilby "Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions." Phys. Chem. Chem. Phys. 18 (2016) 22946-22961.

147) J. Blom, T. K. Johansen, F. Jensen, K. A. Jorgensen "Dynamic Resolution of 2-Cyclohexylidene Acetaldehydes through Organocatalytic Dienamine [4+2] Cycloaddition." Chem. Comm. 52 (2016) 7153-7156.

146) S. Jakobsen, F. Jensen "Searching the Force Field Electrostatic Multipole Parameter Space." J. Chem. Theory Comp. 12 (2016) 1824-1832; J. Chem. Theory Comp. 12 (2016) 2999.

145) J. Kaminsky, F. Jensen "Conformational Interconversions of Amino Acid Derivatives." J. Chem. Theory Comp. 12 (2016) 694-705

144) Y. Li, F. Tur, R. P. Nielsen, H. Jiang, F. Jensen, K. A. Jorgensen "Enantioselective Formal [4+2] Cycloadditions to 3-Nitroindoles via Trienamine Catalysis for the Synthesis of Chiral Dihydrocarbazoles." Angew. Chem. Int. Ed. 55 (2016) 1020-1024.

143) S. Walt, N. B. Ram, A. von Conta, O. I. Tolstikhin, L. B. Madsen, F. Jensen, H. J. Worner "Role of Multi-electron Effects in the Asymmetry of Strong-field Ionization and Fragmentation of Polar Molecules: the Methyl Halide Series." J. Phys. Chem. A 119 (2015) 11772-11782.

142) J. Thogersen, R. Kissner, T. Nauser, W. H. Koppenol, B. Richter, F. Jensen, S. R. Keiding, S. J. K. Jensen "Primary Photochemistry of Peroxynitrite in Aqueous Solution." Chem. Phys. Lett. 641 (2015) 187-192.

141) O. Andersen, J. Grouleff, P. Needham, R. Walker, F. Jensen "Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins." J. Phys. Chem. B 119 (2015) 14594-14603.

140) P. M. Kraus, B. Mignolet, D. Baykusheva, A. Rupenyan, L. Horny, E. F. Penka, G. Grassi, O. I. Tolstikhin, J. Schneider, F. Jensen, L. B. Madsen, A. D. Bandrauk, F. Remacle, and H. J. Worner "Measurement and Laser Control of Attosecond Charge Migration in Iodoacetylene." Science 350 (2015) 790-795.

139) S. Salamonea, L. Lindkvist, A. H. Viuff, O. J. Andersen, F. Jensen, H. H. Jensen "Synthesis and Evaluation of Galacto-noeurostegine and its 2-deoxy Analogue as Glycosidase Inhibitors." Org. Bio. Chem. 13 (2015) 7979-7992.

138) P. H. Poulsen, K. S. Feu, B. M. Paz, F. Jensen, K. A. Jorgensen "Organocatalytic Asymmetric Cascade 1,6- and 1,4-Addition to 2,4-Dienals for the Synthesis of Chiral Chromans." Angew. Chem. Int. Ed. 54 (2015) 8203-8207.

137) P. M. Kraus, O. I. Tolstikhin, D. Baykusheva, A. Rupenyan, J. Schneider, C. Z. Bisgaard, T. Morishita, F. Jensen, L. B. Madsen, H. J. Worner "Observation of laser-induced electronic structure in oriented polyatomic molecules." Nature Communication 6 (2015) 7039.

136) K. Kristensen, P. Ettenhuber, J. J. Eriksen, F. Jensen, P. Jorgensen "The Same Number Of Optimized Parameters (SNOOP) Scheme for Determining Intermolecular Interaction Energies." J. Chem. Phys. 142 (2015) 114116 1-11.

135) F. Jensen "Segmented Contracted Basis Sets Optimized for Nuclear Magnetic Shielding." J. Chem. Theory Comp. 11 (2015) 132-138.

134) S. Jakobsen, F. Jensen "Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space." J. Chem. Theory Comp. 10 (2014) 5493-5504.

133) H. P. Varbanov, S. Goschl, P. Heffeter, S. Theiner, A. Roller, F. Jensen, M. A. Jakupec, W. Berger, M. Galanski, B. K. Keppler "A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs." J. Med. Chem. 57 (2014) 6751-6764.

132) Y. Yuan, M. J. L. Mills, P. L. A. Popelier, F. Jensen "Comprehensive Analysis of Energy Minima of the 20 Natural Amino Acids." J. Phys. Chem. A 118 (2014) 7876-7891.

131) A. R. Gadegaard, J. Thogersen, S. K. Jensen, J. Brun, N. K. Jena, M. Odelius, F. Jensen, S. R. Keiding "Spectroscopy and picosecond dynamics of aqueous NO2." J. Chem. Phys. 141 (2014) 064310-1 - 11.

130) C. S. Byskov, F. Jensen, T. J. D. Jørgensen, S. B. Nielsen "On the photostability of peptides after selective photoexcitation of the backbone: prompt versus slow dissociation." Phys. Chem. Chem. Phys. 16 (2014) 15831-15838.

129) L. B. Madsen, F. Jensen, O. I. Tolstikhin, T. Morishita "Application of the Weak-field Asymptotic Theory to Tunneling Ionization of H2O." Phys. Rev. A 89 (2014) 033412-1 - 6.

128) F. Jensen "Unifying General and Segmented Contracted Basis Sets. Segmented Polarization Consistent Basis Sets." J. Chem. Theory Comp. 10 (2014) 1074-1085.

R127) F. Jensen "Atomic Orbital Basis Sets." WIREs 3 (2013) 273-295.

126) S. Jakobsen, K. Kristensen, F. Jensen "Electrostatic Potential of Insulin: Exploring the Limitations of Density Functional Theory and Force Field Methods." J. Chem. Theory Comp. 9 (2013) 3978-3985.

125) O. O. Versolato, M. Schwarz, A. K. Hansen, A. D. Gingell, A. Windberger, L. Klosowski, J. Ullrich, F. Jensen, J. R. Crespo Lopez-Urrutia, M. Drewsen "Decay rate measurement of the first vibrationally excited state of MgH+ in a cryogenic Paul trap" Phys. Rev. Lett. 111 (2013) 053002-1 - 5.

124) F. Jensen "Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations" Theor. Chem. Acc. 132 (2013) 1380-1 - 9.

123) L. B. Madsen, F. Jensen, O. I. Tolstikhin, T. Morishita "Structure factors for tunneling ionization rates of molecules" Phys. Rev. A 87 (2013) 013406-1 - 10.

122) F. Jensen "Polarization Consistent Basis Sets. VIII. The Transition Metals Sc-Zn." J. Chem. Phys. 138 (2013) 014107-1 - 7.

121) H. P. Varbanov, M. A. Jakupec, A. Roller, F. Jensen, M. Galanski, B. K. Keppler "Theoretical investigations and density functional theory based quantitative structure activity relationships model for novel cytotoxic Pt(IV) complexes." J. Med. Chem. 56 (2013) 330-344.

120) E. D. Hedegaard, F. Jensen, J. Kongsted "Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths." J. Chem. Theory Comp. 8 (2012) 4425-4433.

119) K. S. Halskov, T. K. Johansen, R. L. Davis, M. Steuer, F. Jensen, K. A. Jorgensen "Cross-trienamines in Asymmetric Organocatalysis." J. Am. Chem. Soc. 134 (2012) 12943-12946.

118) F. Jensen "Polarization Consistent Basis Sets. VII. The Elements K, Ca, Ga, Ge, As, Se, Br and Kr." J. Chem. Phys. 136 (2012) 114107-1 - 7.

117) N. K. Andersen, H. Doessing, F. Jensen, B. Vester, P. Nielsen "Duplex- and Triplexformation of Mixed Pyrimidine Oligonucleotides with Stacking Phenyl-triazole Moieties in the Major Groove." J. Org. Chem. 76 (2011) 6177-6187.

116) D. S. Palmer, F. Jensen "Predicting Large-Scale Conformational Changes in Proteins using Energy-Weighted Normal Modes." Proteins: Structure, Function and Bioinformatics 79 (2011) 2778-2793.

115) J. Grouleff, F. Jensen "Searching Peptide Conformational Space." J. Chem. Theory Comp. 7 (2011) 1783-1790.

114) S. Stanchev, F. Jensen, A. Hinkov, V. Atanasov, P. Genova-Kalou, R. Argirova, I. Manolov "Synthesis and inhibiting activity of some 4-hydroxycoumarin derivatives on HIV-1 protease." ISRN Pharmaceutics 2011 (2011) 137637/1 / 9.

113) F. Jensen, D. S. Palmer " Harmonic Vibrational Analysis in Delocalized Internal Coordinates. " J. Chem. Theory Comp. 7 (2011) 223-230.

112) F. Jensen " Describing Anions by Density Functional Theory: Fractional Electron Affinity. " J. Chem. Theory Comp. 6 (2010) 2726-2735.

111) N. K. Andersen, N. Chandak, L. Brulikova, P. Kumar, M. D. Jensen, F. Jensen, P. K. Sharma, P. Nielsen "Efficient RNA-targeting by the Introduction of Aromatic Stacking in the Duplex Major Groove via 5-(1-phenyl-1,2,3-triazol-4-yl)-2'-deoxyuridines." Bioorg. Med. Chem. 18 (2010) 4702-4710.

110) D. S. Palmer, V. P. Sergiievskyi, F. Jensen, M. V. Fedorov "Accurate calculations of the Hydration Free Energies of Drug-like Molecules using the Reference Interaction Site Model." J. Chem. Phys. 133 (2010) 044104-1 - 11.

109) H. Svendsen, J. Overgaard, M. A. Chevallier, E. Collet, Y.-S. Chen, F. Jensen, B. B. Iversen " Photomagnetic Switching of Heterometallic Complexes [M(dmf)4(H2O)3(m-CN)Fe(CN)5]H2O (M=Nd, La, Gd, Y) Analyzed by Single-Crystal X-ray Diffraction and Ab Initio Theory. " Chem. Eur. J. 16 (2010) 7215-7223.

108) F. Jensen " The Optimum Contraction of Basis Sets for Calculating Spin-Spin Coupling Constants. " Theor. Chem. Acc. 126 (2010) 371-382.

107) F. Jensen " An Atomic Counterpoise Method for Estimating Inter- and Intra-molecular Basis Set Superposition Errors. " J. Chem. Theory Comp. 6 (2010) 100-106.

106) A. Bakalova, H. Varbanov, S. Stanchev, I. Darvin, F. Jensen " DFT Study of the Structure and Spectral Behavior of new Pt(II) Complexes with 5-methyl-5(4-pyridyl)hydantoin. " Int. J. Quant. Chem. 109 (2009) 826-836.

105) S. P. Madsen, F. Jensen "Locating Seam Minima for Macromolecular Systems." Theor. Chem. Acc. 123 (2009) 477-485.

104) C. Th. Pedersen, F. Jensen, R. Flammang "Alkoxy Isothiocyanates as Intermediates in the Flash Vacuum Pyrolysis of Alkoxythioureas." Aust. J. Chem. 62 (2009) 69-74.

103) M. B. Hansen, H. J. Aa. Jensen, F. Jensen "Modelling Enzymatic Transition States by Force Field Methods." Int. J. Quant. Chem. 109 (2009) 373-383.

R102) F. Jensen "Large Scale Computations in Biological Chemistry." AIP Conference Proceedings 1071 (2008) 58-61.

101) K. Drenck, F. Jensen, J. Olsen, S. B. Nielsen "Stability of the three tetracoordinated dianions Ni(CN)42-, Cr(SCN)42-, and Cu(N3)42-." Chem. Phys. 353 (2008) 189-192.

100) N. K. Andersen, L. Spacilova, M. D. Jensen, P. Kocalka, F. Jensen, P. Nielsen "A Click Chemistry Approach Towards Nucleic Acid Major Groove Functionalization." Nucleic Acids Symposium Series 52 (2008) 149-150.

99) J. Kaminsky, R. A. Mata, H.-J. Werner, F. Jensen "The Accuracy of Local MP2 Methods for Conformational Energies." Mol. Phys. 106 (2008) 1899-1906.

98) U. Benedikt, A. A. Auer, F. Jensen "Optimization of Augmentation Functions for Correlated Calculations of Spin-spin Coupling Constants and Related Properties." J. Chem. Phys. 129 (2008) 064111-1 - 8.

97) S. Stanchev, F. Jensen, I. Manolov "Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins." Int. J. Quant. Chem. 108 (2008) 1340-1351.

96) F. Jensen "Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods." J. Chem. Theory Comp. 4 (2008) 719-727.

95) S. Stanchev, G. Momekov, F. Jensen, I. Manolov "Synthesis, Computational Study and Cytotoxic Activity of new 4-Hydroxycoumarin Derivatives." Eur. J. Med. Chem. 43 (2008) 694-706.

94) P. Kocalka, N. K. Andersen, F. Jensen, P. Nielsen "Synthesis of 5-(1,2,3-triazol-4-yl)-2'-deoxy-uridines by a Click Chemistry Approach; Stacking of Triazoles in the Major Groove Gives Increased Nucleic Acid Duplex Stability." ChemBioChem 8 (2007) 2106-2116.

93) J. Kaminsky, F. Jensen "Force Field Modelling of Amino Acid Conformational Energies." J. Chem. Theory Comp. 3 (2007) 1774-1788.

92) S. Nygaard, S. W. Hansen, J. C. Huffman, F. Jensen, A. H. Flood, J. O. Jeppesen "Two Classes of Alongside Charge-transfer Interactions Defined in One [2]Catenane" J. Am. Chem. Soc. 129 (2007) 7354-7363.

91) F. Jensen "Polarization Consistent Basis Sets. VI. The Elements He, Li, Be, B, Ne, Na, Mg, Al, Ar." J. Phys. Chem. A 111 (2007) 11198-11204.

90) T. D. Rasmussen, P. Ren, J. W. Ponder, F. Jensen "Force Field Modelling of Conformational Energies. The Importance of Intramolecular Polarization. " Int. J. Quant. Chem. 107 (2007) 1390-1395.

R89) M. J. Paterson, O. Christiansen, F. Jensen, P. R. Ogilby "Overview of Theoretical and Computational Methods Applied to the Oxygen-Organic Molecule Photosystem. " Photochem. Photobiol. 82 (2006) 1136-1160.

88) K. A. Nielsen, W.-S. Cho, G. Sarova, B. M. Petersen, A. D. Bond. J. Becher, F. Jensen, D. M. Guldi, J. L. Sessler, J.O. Jeppesen "Supramolecular Receptor Design - Anion-Triggered Binding of C60." Angew. Chem. Int. Ed. 45 (2006) 6848-6853.

87) F. Jensen "The Basis Set Convergence of Spin-Spin Coupling Constants Calculated by Density Functional Methods." J. Chem. Theory Comp. 2 (2006) 1360-1369.

86) R. Lesyk, B. Zimenkovsky, D. Atamanyuk, F. Jensen, K. Kiec-kononowicz, A. Gzella "Anti cancer thiopyrano[2,3-d][1,3]thiazol-2-ones with norbornane moiety. Synthesis, cytotoxicity, physico-chemical properties, and computational studies." Bioorg. Med. Chem. 14 (2006) 5230-5240.

85) Aa. Christensen, C. Mayer, F. Jensen, A. D. Bond, C. J. McKenzie "Controlled Formation and Topologies of Thiophenolate-based Macrocycles: Rings, Cylinders and Bowls." J. Chem. Soc. Dalton. (2006) 108-120.

R84) F. Jensen, "An Introduction to the State of the Art in Quantum Chemistry" Ann. Rep. Comp. Chem. 1 (2005) 3-17.

83) A. D. Bond, S. Derossi, F. Jensen, F. B. Larsen, C. J. McKenzie, J. Nelsen "Squeezing the [Cu-OH-H2O-Cu]3+ Bridge by Cryptate Encapsulation." Inorg. Chem. 44 (2005) 5987-5989.

82) F. Jensen, C. Janfelt "The Magnitude of Pseudo-Potential Errors for Bond Distances and Vibrational Frequencies." Chem. Phys. Lett. 412 (2005) 12-15.

81) F. Jensen "Estimating the Hartree-Fock Limit From Finite Basis Set Calculations." Theor. Chem. Acc. 113 (2005) 267-273.

80) C. Janfelt, F. Jensen "The Magnitude of Pseudo-Potential Errors for Density Functional Calculations." Chem. Phys. Lett. 406 (2005) 501-503.

79) F. Jensen "Contracted Basis Sets for Density Functional Calculations. Segmented versus General Contraction." J. Chem. Phys. 122 (2005) 074111-1 - 11.

78) F. Jensen "On the Accucary of Numerical Hartree-Fock Energies." Theor. Chem. Acc. 113 (2005) 187-190.

77) F. Jensen "The Effect of Different Density Functional Methods on Basis Set Parameters." Chem. Phys. Lett. 402 (2005) 510-513.

76) J. Bruun, T. Helgaker, F. Jensen "A Comparison of Polarization and Bond Functions for Density Functional Calculations." Mol. Phys. 102 (2004) 2559-2562.

75) T. D. Rasmussen, F. Jensen "Force Field Modelling of Conformational Energies." Mol. Sim. 30 (2004) 801-806.

74) F. Jensen, T. Helgaker "Polarization Consistent Basis Sets V. The Elements Si-Cl." J. Chem. Phys. 121 (2004) 3463-3470.

73) K. Qvortrup, M. T. Jakobsen, J.-P. Gisselbrecht, F. Jensen, S. B. Nielsen, M. B. Nielsen "Donor Strength of pi-extended Tetrathiafulvalenes: Ionisation Energies vs. Oxidation Potentials. A Joint Theoretical and Experimental Study." J. Mat. Chem. 14 (2004) 1768-1773.

72) A. Pace, E. L. Clennan, F. Jensen " A Novel Zeolite Induced Population of a Planar Vilogen Conformation. New Viologen Charge Transfer Complexes and Alkene/Viologen/Zeolite Arrays." J. Phys. Chem. B 108 (2004) 4673-4678.

R71) F. Jensen, "History of Science - Quantum Chemistry ("Chimica Quantistica")" Storia della Scienza IX (2003) 313-321, Sandro Petruccioli, Ed.

70) J. Bjernemose, E. Frandsen, F. Jensen, C. Th. Pedersen "The Structure of Higher Homologues of 1,6,6a-lambda4-Trithiapentalenes the Question of No-bond-single-bond-resonance in five Sulfuratom Homologues." Tetrahedron. 59 (2003) 10255-10259.

69) F. Jensen "Using Force Field Methods for Locating Transition Structures." J. Chem. Phys. 119 (2003) 8804-8808.

68) F. Jensen "The Influence of Isotopomers on Calculated Thermodynamic Quantities." Mol. Phys. 101 (2003) 2315-2318.

67) P. T. Olsen, F. Jensen "Modelling Chemical Reactions for Conformationally Mobile Systems with Force Field Methods." J. Chem. Phys. 118 (2003) 3523-3531.

R66) F. Jensen, P.-O. Norrby "Transition States from Empirical Force Fields." Theo. Chem. Acc. 109 (2003) 1-7.

65) F. Jensen "Polarization Consistent Basis Sets IV. The Basis Set Convergence of Equilibrium Geometries, Harmonic Vibrational Frequencies and Intensities." J. Chem. Phys. 118 (2003) 2459-2463.

64) K. F. Haselmann, T. J. D. Jorgensen, B. A. Budnik, F. Jensen, R. A. Zubarev "Electron Capture Dissociation of Weakly Bound Polypeptide Polycationic Complexes." Rapid Comm. Mass Spec. 16 (2002) 2260-2265.

63) R. A. Zubarev, K. F. Haselmann, B. Budnik, F. Kjeldsen, F. Jensen "Towards an Understanding of the Mechanism of Electron-capture Dissociation: A Historical Perspective and Modern Ideas." Eur. J. Mass Spec. 8 (2002) 337-349.

62) F. Jensen "Polarization Consistent Basis Sets III. The Importance of Diffuse Functions." J. Chem. Phys. 117 (2002) 9234-9240.

61) F. Kjeldsen, K. F. Haselmann, B. A. Budnik, F. Jensen, R. A. Zubarev "Dissociative Capture of Hot (3-13 eV) Electrons by Polypeptide Polycations: An Efficient Process Accompanied by Secondary Fragmentation." Chem. Phys. Lett. 356 (2002) 201-206.

60) F. Jensen "Polarization Consistent Basis Sets. II. Estimating the Kohn-Sham Basis Set Limit." J. Chem. Phys. 116 (2002) 7372-7379.

59) F. Jensen "Polarization Consistent Basis Sets. Principles." J. Chem. Phys. 115 (2001) 9113-9125; 116 (2002) 3502.

58) A. A. Mohamed, F. Jensen "Steric Effects in SN2 Reactions. The Influence of Microsolvation." J. Phys. Chem. A 105 (2001) 3259-3268.

57) F. Jensen "The Basis Set Convergence of the Hartree-Fock Energy for H3+, Li2 and N2." Theo. Chem. Acc. 104 (2000) 484-490.

56) J. O. Jeppesen, K. Takimiya, F. Jensen, T. Brimert, K. Nielsen, N. Thorup, J. Becher "Pyrrolo Annelated Tetrathiafulvalenes: The Parent Systems." J. Org. Chem. 65 (2000) 5794-5805.

55) K. Aa. Christensen, F. Jensen "The Basis Set Convergence of the Density Functional Energy for H2." Chem. Phys. Lett. 317 (2000) 400-403.

54) J. O. Jeppesen, K. Takimiya, F. Jensen, J. Becher "Pyrrolo Annelated Tetrathiafulvalenes: The Parent Systems." Org. Lett. 1 (1999) 1291-1294.

53) F. Jensen "The Basis Set Convergence of the Hartree-Fock Energy for H2." J. Chem. Phys. 110 (1999) 6601-6605.

52) F. Jensen "Stationary Points on the H2CO Potential Energy Surface. Dependence on Theoretical Level." Theor. Chem. Acc. 99 (1998) 295-300.

51) F. Jensen, A. Greer, E. L. Clennan "The Reaction of Organic Sulfides with Singlet Oxygen. A Revised Mechanism." J. Am. Chem. Soc. 120 (1998) 4439-4449.

50) E. L. Clennan, M.-F. Chen, A. Greer, F. Jensen "Experimental and Computational Evidence for the Formation of Iminopersulfinic Acids." J. Org. Chem. 63 (1998) 3397-3402.

49) F. Jensen, H. Koch "C24. Ring or Fullerene?" J. Chem. Phys. 108 (1998) 3213-3217.

48) A. Nicolaides, D. M. Smith, F. Jensen, L. Radom "Adiabatic and Vertical Ionizations of the Phenyl Radical. The Triplet-Singlet Gap in Phenyl Cation and Other Excited States." J. Am. Chem. Soc. 119 (1997) 8083-8088.

47) A. Greer, C. Ming-Fang, F. Jensen, E. L. Clennan "Experimental and ab Initio Computational Evidence for New Peroxidic Intermediates (Iminopersulfinic Acids). Substituent Effects in the Photooxidations of Sulfenic Acid Derivatives." J. Am. Chem. Soc. 119 (1997) 4380-4387.

46) F. Jensen "Conformations of Glycolic Acid." Acta Chem. Scand. 51 (1997) 439-441.

45) S. S. Glad, F. Jensen "Kinetic Isotope Effects and Transition State Geometries. A Theoretical Investigation of E2 Model Systems." J. Org. Chem. 62 (1997) 253-260.

44) S. S. Glad, F. Jensen "Transition State Looseness and -Secondary Kinetic Isotope Effects." J. Am. Chem. Soc. 119 (1997) 227-232.

43) P. Aa. Nielsen, S. S. Glad, F. Jensen "Influence of Substituents on Kinetic Isotope Effects." J. Am. Chem. Soc. 118 (1996) 10577-10583.

42) F. Jensen "The Magnitude of Intramolecular Basis Set Superposition Error." Chem. Phys. Lett. 261 (1996) 633-636.

41) S. S. Glad, F. Jensen "Basis Set and Correlation Effects on Transition State Geometries and Kinetic Isotope Effects." J. Phys. Chem. 100 (1996) 16892-16898.

40) A. Greer, F. Jensen, E. L. Clennan "Ring Strain Effect of the Interconversion of Intermediates in the Reaction of Organic Sulfides with Singlet Oxygen." J. Org. Chem. 61 (1996) 4107-4110.

39) K. Bondensgård, F. Jensen "Gradient Extremal Bifurcation and Turning Points. An Application to the H2CO Potential Energy Surface." J. Chem. Phys. 104 (1996) 8025-8031.

R38) F. Jensen "Theoretical Aspects of the Reaction of Organic Sulfur and Phosphorus Compounds with Singlet Oxygen." Adv. in Oxygenated Processes, A. L. Baumstark, Ed.; JAI Press: Greenwich, CT, Vol. IV (1995) 1-48.

37) M. Nissum, O. F. Nielsen, F. Jensen, P. W. Jensen "Surface-Enhanced Raman Spectroscopic Investigation of Thiazole Orange Derivatives Using Visible and Near-Infrared Excitation." J. Raman Spec. 26 (1995) 1009-1017.

36) J. Medrano, J. E. Mark, F. Jensen, F. Molnar "Physical Basis for the Small Bandgap Observed in Some Novel Organic Polyradicals." Comp. Pol. Sci. 5 (1995) 71-75.

35) F. Jensen "A Theoretical Study of the Allene Effect in [1,n]-Sigmatropic Hydrogen Shifts." J. Am. Chem. Soc. 117 (1995) 7487-7492, 118 (1996) 297.

34) F. Jensen "Locating Transition Structures by Mode Following. A Comparison of Six Methods on the Ar8 Lennard-Jones Potential." J. Chem. Phys. 102 (1995) 6706-6718.

33) F. Jensen "Transition Structure Modeling by Intersecting Potential Energy Surfaces." J. Comp. Chem. 15 (1994) 1199-1216.

32) S. S. Glad, F. Jensen "Inference of Transition State Geometries from Kinetic Isotope Effects: An Ab Initio Study of an E2 Model System." J. Am. Chem. Soc. 116 (1994) 9302-9310.

31) S. S. Glad, F. Jensen "Ab Initio Study of the Nucleophilic Ring Opening of Ethylene Oxide. Connection Between Secondary Isotope Effects and Transition Structures." J. Chem. Soc. Perkin Trans. 2 (1994) 871-876.

30) A. L. Nivorozhkin, H. Toftlund, P. Stein, F. Jensen "Influence of the Chalcogenocarbonyl Group on the Structure of Heterocyclic Analogues of ß-Tricarbonyl Compounds. Synthesis and Structural Features of Shiff Bases Derived from 3-Formyl-4-Thio(seleno)coumarin."J. Chem. Soc. Perkin Trans. 2 (1993) 2423-2428.

29) F. Jensen "The Stability of Cage and Ring Isomers for Carbon and Boron Nitride Clusters." Chem. Phys. Lett. 209 (1993) 417-422.

28) T. K. Hansen, T. Jørgensen, F. Jensen, P. H. Thygensen, K. Christiansen, M. B. Hursthouse, M. E. Harman, M. A. Malik, B. Girmay, A. E. Underhill, M. Begtrup, J. D. Kilburn, K. Belmore, P. Roepstorff, J. Becher "Crown Ether Annelated Tetrathiafulvalenes. 2" J. Org. Chem. 58 (1993) 1359-1366.

27) F. Jensen, H. Toftlund "Structure and Stability of C24 and B12N12 Isomers." Chem. Phys. Lett. 201 (1993) 89-96.

26) F. Jensen "The Reaction of Organic Sulfides with Singlet Oxygen. A Theoretical Study Including Electron Correlation." J. Org. Chem. 57 (1992) 6478-6487.

25) F. Jensen "Structure and Stabilities of Glycine and Methyl Glycine Complexes with H+, Li+ and Na+." J. Am. Chem. Soc. 114 (1992) 9533-9537.

24) F. Jensen "A Theoretical Study of Steric Effects in SN2 Reactions." Chem. Phys. Lett. 196 (1992) 368-376.

23) T. K. Hansen, M. V. Lakshmikantham, M. P. Cava, R. E. Niziurski-Mann, F. Jensen, J. Becher "New Extended -Electron Donors. Tetrathiafulvalene Systems with Heterocyclic Spacer Groups" J. Am. Chem. Soc. 114 (1992) 5035-5039.

22) F. Jensen "Locating Minima on Seams of Intersecting Potential Energy Surfaces. An Application to Transition Structure Modeling." J. Am. Chem. Soc. 114 (1992) 1596-1603.

21) M. Lehd, F. Jensen "A General Procedure for Obtaining Wave Functions Obeying the Virial Theorem." J. Comp. Chem. 12 (1991) 1089-1096.

20) G. E. Scuseria, M. D. Miller, F. Jensen, J. Geertsen "The Dipole Moment of Carbon Monoxide." J. Chem. Phys. 94 (1991) 6660-6663.

19) M. Orfanopoulos, M. Stratakis, Y. Elemes, F. Jensen "Do Rotational Barriers Dictate the Regioselectivity in the Ene Reaction of Singlet Oxygen and Triazolinediones with Alkenes?" J. Am. Chem. Soc. 113 (1991) 3180-3181.

18) M. Lehd, F. Jensen "Improved Radical Stabilization Energies." J. Org. Chem. 56 (1991) 884-885, 3198.

17) F. Jensen "A Remarkable Large Effect of Spin Contamination on Calculated Vibrational Frequencies." Chem. Phys. Lett. 169 (1990) 519-528.

16) Y. Li, X. Wang, F. Jensen, K. N. Houk, G. A. Olah "Energies and Properties of Ions Involved in Electrophilic Halogenations: Singlet and Triplet States of Halogen Cations (X+, X3+ and X42+) and Hydrohalonium Ions (HX2+ and H2X+)." J. Am. Chem. Soc. 112 (1990) 3922-3926.

15) F. Jensen, J. Oddershede "Structure and Spectra of ClO Dimers." J. Phys. Chem. 94 (1990) 2235-2237.

14) M. Lehd, F. Jensen "AM1 Calculations of Substituent Effects in Retro-Diels-Alder Reactions." J. Org. Chem. 55 (1990) 1034-1040.

13) F. Jensen "The [1,3]-Hydrogen Shift in Cyclopropene. Does it Exist?" Chem. Phys. Lett. 161 (1989) 368-374.

12) S. Bøwadt, F. Jensen "MNDO Calculations on Tetrathiafulvalenes." Synth. Metals 32 (1989) 179-190.

11) J. Geertsen, F. Jensen, G. E. Scuseria "Calculation of Electric Dipole Moments from the Polarization Propagator. Theory and Applications." J. Chem. Phys. 91 (1989) 364-367.

10) F. Jensen "The Walk Rearrangement in Bicyclo[2.1.0]pent-2-ene. An MCSCF Study." J. Am. Chem. Soc. 111 (1989) 4643-4647.

9) M. D. Miller, F. Jensen, O. L. Chapman, K. N. Houk "Influence of Basis Sets and Electron Correlation on Theoretically Predicted Infrared Intensities." J. Phys. Chem. 93 (1989) 4495-4502.

8) K. Pluta, K. V. Andersen, F. Jensen, J. Becher "Nucleophilic Tele-substitution in 2-Chloro-3-formylindoles via Ring Opening-Ring Closure." J. Chem. Soc., Chem. Com. (1988) 1583-1584.

7) K. Yamaguchi, F. Jensen, A. Dorigo, K. N. Houk "A Spin Correction Procedure for Unrestricted Hartree-Fock and Møller-Plesset Wave Functions for Singlet Diradicals and Polyradicals." Chem. Phys. Lett. 149 (1988) 537-542.

6) F. Jensen, C. S. Foote "Reaction of Singlet Oxygen with Organic Sulfides. A Theoretical Study." J. Am. Chem. Soc. 110 (1988) 2368-2375.

5) R. L. Vance, N. G. Rondan, K. N. Houk, F. Jensen, W. T. Borden, A. Komornicki, E. Wimmer "Transition Structure for the Claisen Rearrangement." J. Am. Chem. Soc. 110 (1988) 2314-2315.

4) F. Jensen, C. S. Foote "Reaction of 4-Phenyl-1,2,4-triazoline-3,5-dione with Substituted Butadienes. A Nonconcerted Diels-Alder Reaction." J. Am. Chem. Soc. 109 (1987) 6376-6385.

3) F. Jensen, K. N. Houk "Correlated Transition Structure for the [1,5]-Hydrogen Shift." J. Am. Chem. Soc. 109 (1987) 3139-3140.

2) F. Jensen, C. S. Foote "Chemistry of Singlet Oxygen. 49. Photooxidation of Thiiranes." J. Am. Chem. Soc. 109 (1987) 1478-1485.

1) F. Jensen, C. S. Foote "Chemistry of Singlet Oxygen. 48. Isolation and Structure of the Primary Photoproducts from Photooxidation of 3,5-di-tert-butyl-catechol. " Photochem. Photobio. 46 (1987) 325-330.




Books and book sections

B7) F. Jensen "Introduction to Computational Chemistry. 3nd Ed." Wiley (2017) 1-638.

B6) F. Jensen, J. E. T. Andersen, J. B. Christensen, R. Hazell "Grundlaeggende Kemi." Gyldendal (2016) 1-482.

B5) F. Jensen "Introduction to Computational Chemistry. 2nd Ed." Wiley (2006) 1-624.

B4) F. Jensen, "Aspects of Transition Structures in Computational Chemistry" Dr. Sc. Thesis (1999) 1-50.

B3) F. Jensen "Introduction to Computational Chemistry, 1st Ed." Wiley (1999) 1-429.

B2) F. Jensen, "Transition Structure Optimization Techniques", in The Encyclopedia of Computational Chemistry, Schleyer, P. v. R.; Allinger, N. L.; Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R., Eds.; John Wiley & Sons, Chichester, (1998) 3114-3123.

B1) F. Jensen "Nonconcerted Diels-Alder Reactions and [1,n]-Sigmatropic Shifts. Experimental and Theoretical Studies." Ph. D. Thesis, UCLA (1987) 1-291.



Other Publications (not conference proceedings, book reviews etc.)

O4) F. Jensen, P. Ogilby "Christopher S. Foote (1935-2005): Singlet Oxygen (obituary)" Angew. Chem. Int. Ed. 44 (2005) 6268.

O3) J. K. Nørskov, G. D. Billing, T. Bloch, S. Brunak, N. E. Christensen, P. C. Hansen, F. Jensen, P. Jørgensen, Å. Norlund, R. H. Nielsen, "Et Vindue til Fremtiden. Supercomputerbaseret Forskning" (1999) 1-20.

O2) F. Jensen "Bor-nitrid Fullerener." Dansk Kemi 74 (8) (1993) 12-14.

O1) J. Baker, F. Jensen, H. S. Rzepac, A. Stebbings "Location of TS's in AMPAC and MOPAC Using Eigenvector Following." QCPE Bulletin 10 (1990) 76-77, 91.



Other Contributions

I have made contributions to the following widely used computer programs: GAMESS, AMPAC, MOPAC and AMSOL.

1) GAMESS, M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koseki, M. S. Gordon, K. A. Nguyen, T. L. Windus, S. T. Elbert, QCPE Bulletin, 10 (1990) 52-54.
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koseki, M. S. Gordon, K. A. Nguyen, T. L. Windus, S. T. Elbert "General Atomic and Molecular Electronic Structure System." J. Comp. Chem. 14 (1993) 1347.
http://www.msg.ameslab.gov/GAMESS/GAMESS.html

2) AMPAC 4.5, © 1993 Semichem, 12715 W. 66th Terrace, Shawnee, KS 66216.
AMPAC 5.0, © 1994 Semichem, 12715 W. 66th Terrace, Shawnee, KS 66216.

3) MOPAC 93, J. J. P. Stewart, Fujitsu Limited, Tokyo, Japan (1993)
MOPAC 93, QCPE Bulletin 13 (1993) 40-43.

4) AMSOL 6.0, D. J. Geisen, G. D. Hawkins, C. C. Chambers, G. C. Lynch, I. Rossi, J. W. Storer, D. A. Liotard, C. J. Cramer, D. G. Truhlar.