| Year |
Citation |
Score |
| 2020 |
Gottschalk HC, Poblotzki A, Fatima M, Obenchain DA, Pérez C, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, ... ... Jansen G, et al. The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of Chemical Physics. 152: 164303. PMID 32357787 DOI: 10.1063/5.0004465 |
0.361 |
|
| 2019 |
Boese AD, Jansen G. ZMP-SAPT: DFT-SAPT using ab initio densities. The Journal of Chemical Physics. 150: 154101. PMID 31005094 DOI: 10.1063/1.5087208 |
0.495 |
|
| 2018 |
Haack R, Schulz S, Jansen G. Dispersion interactions between neighboring Bi atoms in (BiH)and Te(BiR). Journal of Computational Chemistry. PMID 29533472 DOI: 10.1002/Jcc.25209 |
0.472 |
|
| 2018 |
Gottschalk HC, Poblotzki A, Suhm MA, Al-Mogren MM, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, Harding ME, ... ... Jansen G, et al. The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics. 148: 014301. PMID 29306273 DOI: 10.1063/1.5009011 |
0.37 |
|
| 2017 |
Ganesamoorthy C, Heimann S, Hölscher S, Haack R, Wölper C, Jansen G, Schulz S. Synthesis, structure and dispersion interactions in bis(1,8-naphthalendiyl)distibine Dalton Transactions. 46: 9227-9234. PMID 28678236 DOI: 10.1039/C7Dt02165H |
0.418 |
|
| 2017 |
Bernhard D, Dietrich F, Fatima M, Perez C, Poblotzki A, Jansen G, Suhm MA, Schnell M, Gerhards M. Multi-spectroscopic and theoretical analyses on the diphenyl ether-tert-butyl alcohol complex in the electronic ground and electronically excited state. Physical Chemistry Chemical Physics : Pccp. PMID 28675201 DOI: 10.1039/C7Cp02967E |
0.357 |
|
| 2017 |
Kuchenbecker D, Uhl F, Forbert H, Jansen G, Marx D. Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms. Physical Chemistry Chemical Physics : Pccp. PMID 28280806 DOI: 10.1039/C7Cp00652G |
0.381 |
|
| 2017 |
Bauer H, Orzechowski L, Escalona A, Jansen G, Harder S. Synthesis and Structure of a Dimeric Iminophosphorane Stabilized Zinc Carbene: (ZnCR2)2 Organometallics. 36: 4883-4890. DOI: 10.1021/Acs.Organomet.7B00755 |
0.307 |
|
| 2016 |
Mussard B, Rocca D, Jansen G, Ángyán JG. Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects. Journal of Chemical Theory and Computation. 12: 2191-202. PMID 26986444 DOI: 10.1021/Acs.Jctc.5B01129 |
0.442 |
|
| 2015 |
Lao KU, Schäffer R, Jansen G, Herbert JM. Accurate Description of Intermolecular Interactions Involving Ions Using Symmetry-Adapted Perturbation Theory. Journal of Chemical Theory and Computation. 11: 2473-86. PMID 26575547 DOI: 10.1021/Ct5010593 |
0.461 |
|
| 2014 |
Jansen G. Symmetry‐adapted perturbation theory based on density functional theory for noncovalent interactions Wiley Interdisciplinary Reviews: Computational Molecular Science. 4: 127-144. DOI: 10.1002/Wcms.1164 |
0.458 |
|
| 2014 |
Heimann S, Kuczkowski A, Bläser D, Wölper C, Haack R, Jansen G, Schulz S. Syntheses and Solid‐State Structures of Et2SbTeEt and Et2BiTeEt European Journal of Inorganic Chemistry. 2014: 4858-4864. DOI: 10.1002/Ejic.201402471 |
0.316 |
|
| 2013 |
Böning M, Stuhlmann B, Engler G, Busker M, Häber T, Tekin A, Jansen G, Kleinermanns K. Towards a spectroscopic and theoretical identification of the isolated building blocks of the benzene-acetylene cocrystal. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 837-46. PMID 23184889 DOI: 10.1002/Cphc.201200701 |
0.358 |
|
| 2013 |
Schäffer R, Jansen G. Single-determinant-based symmetry-adapted perturbation theory without single-exchange approximation Molecular Physics. 111: 2570-2584. DOI: 10.1080/00268976.2013.827253 |
0.48 |
|
| 2013 |
Schulz S, Kuczkowski A, Bläser D, Wölper C, Jansen G, Haack R. Solid-State Structures of Trialkylbismuthines BiR3 (R = Me, i-Pr) Organometallics. 32: 5445-5450. DOI: 10.1021/Om400730R |
0.311 |
|
| 2012 |
Kuchenbecker D, Jansen G. Intermolecular interactions in weak donor-acceptor complexes from symmetry-adapted perturbation and coupled-cluster theory: tetracyanoethylene-benzene and tetracyanoethylene-p-xylene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 2769-76. PMID 22696390 DOI: 10.1002/Cphc.201200164 |
0.492 |
|
| 2012 |
Gould T, Jansen G, Tokatly IV, Dobson JF. Quantum continuum mechanics made simple. The Journal of Chemical Physics. 136: 204115. PMID 22667548 DOI: 10.1063/1.4721269 |
0.333 |
|
| 2012 |
Sánchez-García E, Jansen G. Competition between H···π and H···O interactions in furan heterodimers. The Journal of Physical Chemistry. A. 116: 5689-97. PMID 22650151 DOI: 10.1021/Jp301710Y |
0.412 |
|
| 2012 |
Schäffer R, Jansen G. Intermolecular exchange-induction energies without overlap expansion Theoretical Chemistry Accounts. 131: 1235. DOI: 10.1007/S00214-012-1235-6 |
0.455 |
|
| 2011 |
Ángyán JG, Liu RF, Toulouse J, Jansen G. Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach. Journal of Chemical Theory and Computation. 7: 3116-30. PMID 26598155 DOI: 10.1021/Ct200501R |
0.427 |
|
| 2011 |
Leforestier C, Tekin A, Jansen G, Herman M. First principles potential for the acetylene dimer and refinement by fitting to experiments. The Journal of Chemical Physics. 135: 234306. PMID 22191874 DOI: 10.1063/1.3668283 |
0.415 |
|
| 2011 |
Toulouse J, Zhu W, Savin A, Jansen G, Ángyán JG. Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions. The Journal of Chemical Physics. 135: 084119. PMID 21895171 DOI: 10.1063/1.3626551 |
0.452 |
|
| 2011 |
Boese AD, Forbert H, Masia M, Tekin A, Marx D, Jansen G. Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets. Physical Chemistry Chemical Physics : Pccp. 13: 14550-64. PMID 21687854 DOI: 10.1039/C1Cp20991D |
0.424 |
|
| 2011 |
Boese AD, Jansen G, Torheyden M, Höfener S, Klopper W. Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride. Physical Chemistry Chemical Physics : Pccp. 13: 1230-8. PMID 21103475 DOI: 10.1039/C0Cp01493A |
0.381 |
|
| 2010 |
Jansen G, Liu RF, Angyán JG. On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions. The Journal of Chemical Physics. 133: 154106. PMID 20969369 DOI: 10.1063/1.3481575 |
0.429 |
|
| 2010 |
Kuchenbecker D, Harder S, Jansen G. Insight in structures of superbulky metallocenes with the CpBIG ligand: Theoretical considerations of decaphenyl metallocenes Zeitschrift Fur Anorganische Und Allgemeine Chemie. 636: 2257-2261. DOI: 10.1002/Zaac.201000192 |
0.37 |
|
| 2009 |
Toulouse J, Gerber IC, Jansen G, Savin A, Angyán JG. Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation. Physical Review Letters. 102: 096404. PMID 19392541 DOI: 10.1103/Physrevlett.102.096404 |
0.403 |
|
| 2008 |
Fiethen A, Jansen G, Hesselmann A, Schütz M. Stacking energies for average B-DNA structures from the combined density functional theory and symmetry-adapted perturbation theory approach. Journal of the American Chemical Society. 130: 1802-3. PMID 18201088 DOI: 10.1021/Ja076781M |
0.711 |
|
| 2008 |
Sánchez-García E, Mardyukov A, Tekin A, Crespo-Otero R, Montero LA, Sander W, Jansen G. Ab initio and matrix isolation study of the acetylene–furan dimer Chemical Physics. 343: 168-185. DOI: 10.1016/J.Chemphys.2007.09.053 |
0.48 |
|
| 2007 |
Tekin A, Jansen G. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer. Physical Chemistry Chemical Physics : Pccp. 9: 1680-7. PMID 17396179 DOI: 10.1039/B618997K |
0.487 |
|
| 2007 |
Hesselmann A, Jansen G, Schütz M. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies. The Journal of Chemical Physics. 122: 14103. PMID 15638638 DOI: 10.1063/1.1824898 |
0.723 |
|
| 2006 |
Orzechowski L, Jansen G, Harder S. Synthesis, structure, and reactivity of a stabilized calcium carbene: R(2)CCa. Journal of the American Chemical Society. 128: 14676-84. PMID 17090054 DOI: 10.1021/Ja065000Z |
0.303 |
|
| 2006 |
Hesselmann A, Jansen G, Schütz M. Interaction energy contributions of H-bonded and stacked structures of the AT and GC DNA base pairs from the combined density functional theory and intermolecular perturbation theory approach. Journal of the American Chemical Society. 128: 11730-1. PMID 16953592 DOI: 10.1021/Ja0633363 |
0.714 |
|
| 2006 |
Torheyden M, Jansen G. A new potential energy surface for the water dimer obtained from separate fits of ab initio electrostatic, induction, dispersion and exchange energy contributions Molecular Physics. 104: 2101-2138. DOI: 10.1080/00268970600679188 |
0.486 |
|
| 2005 |
Vissers GW, Hesselmann A, Jansen G, Wormer PE, van der Avoird A. New CO-CO interaction potential tested by rovibrational calculations. The Journal of Chemical Physics. 122: 54306. PMID 15740321 DOI: 10.1063/1.1835262 |
0.718 |
|
| 2003 |
Angyán JG, Chipot C, Dehez F, Hättig C, Jansen G, Millot C. OPEP: a tool for the optimal partitioning of electric properties. Journal of Computational Chemistry. 24: 997-1008. PMID 12720321 DOI: 10.1002/Jcc.10236 |
0.568 |
|
| 2003 |
Heßelmann A, Jansen G. The helium dimer potential from a combined density functional theory and symmetry-adapted perturbation theory approach using an exact exchange–correlation potential Phys. Chem. Chem. Phys.. 5: 5010-5014. DOI: 10.1039/B310529F |
0.707 |
|
| 2003 |
Heßelmann A, Jansen G. Intermolecular dispersion energies from time-dependent density functional theory Chemical Physics Letters. 367: 778-784. DOI: 10.1016/S0009-2614(02)01796-7 |
0.708 |
|
| 2002 |
Heßelmann A, Jansen G. Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn–Sham density functional theory Chemical Physics Letters. 362: 319-325. DOI: 10.1016/S0009-2614(02)01097-7 |
0.712 |
|
| 2002 |
Heßelmann A, Jansen G. First-order intermolecular interaction energies from Kohn–Sham orbitals Chemical Physics Letters. 357: 464-470. DOI: 10.1016/S0009-2614(02)00538-9 |
0.706 |
|
| 2001 |
Raub S, Jansen G. A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules Theoretical Chemistry Accounts. 106: 223-232. DOI: 10.1007/S002140100268 |
0.401 |
|
| 2000 |
Jansen G. Transformation properties of spheroidal multipole moments and potentials Journal of Physics A. 33: 1375-1394. DOI: 10.1088/0305-4470/33/7/308 |
0.383 |
|
| 2000 |
Heßelmann A, Jansen G. First-order intermolecular interaction energies from coupled-cluster Brueckner orbitals The Journal of Chemical Physics. 112: 6949-6952. DOI: 10.1063/1.481309 |
0.706 |
|
| 2000 |
Jansen G. Convergence of multipole expanded intermolecular interaction energies for Gaussian-type-function and Slater-type-function basis sets Theoretical Chemistry Accounts. 104: 499-506. DOI: 10.1007/S002140000178 |
0.369 |
|
| 2000 |
Torheyden M, Jansen G. Interaction energies for the water dimer by supermolecular methods and symmetry-adapted perturbation theory: the role of bond functions and convergence of basis subsets. Theoretical Chemistry Accounts. 104: 370-384. DOI: 10.1007/S002140000152 |
0.498 |
|
| 1999 |
Soetens J, Jansen G, Millot C. Molecular dynamics simulation of liquid CCl4 with a new polarizable potential model. Molecular Physics. 96: 1003-1012. DOI: 10.1080/00268979909483042 |
0.373 |
|
| 1999 |
Heßelmann A, Jansen G. Molecular properties from coupled-cluster Brueckner orbitals Chemical Physics Letters. 315: 248-256. DOI: 10.1016/S0009-2614(99)01251-8 |
0.678 |
|
| 1998 |
Jansen G, Schubart M, Findeis B, Gade LH, Scowen IJ, McPartlin M. Unsupported Ti−Co and Zr−Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal−Metal Bond Polarity Journal of the American Chemical Society. 120: 7239-7251. DOI: 10.1021/Ja974160V |
0.331 |
|
| 1997 |
Hattig C, Jansen G, Hess BA, Angyan JG. Intermolecular interaction energies by topologically partitioned electric properties II. Dispersion energies in one-centre and multicentre multipole expansions Molecular Physics. 91: 145-160. DOI: 10.1080/002689797171841 |
0.73 |
|
| 1997 |
Soetens J, Millot C, Chipot C, Jansen G, Ángyán JG, Maigret B. Effect of Polarizability on the Potential of Mean Force of Two Cations. The Guanidinium−Guanidinium Ion Pair in Water Journal of Physical Chemistry B. 101: 10910-10917. DOI: 10.1021/Jp972113J |
0.324 |
|
| 1996 |
Hättig C, Hebβ BA, Jansen G, Ángyán JG. Topologically partitioned dynamic polarizabilities using the theory of atoms in molecules Canadian Journal of Chemistry. 74: 976-987. DOI: 10.1139/V96-108 |
0.598 |
|
| 1996 |
Stone AJ, Hättig C, Jansen G, Ángyán JG. Transferability of topologically partitioned polarizabilities: The case of n-alkanes Molecular Physics. 89: 595-605. DOI: 10.1080/002689796173930 |
0.591 |
|
| 1996 |
Jansen G, Hattig C, Hess BA, Angyan JG. Intermolecular interaction energies by topologically partitioned electric properties. 1. Electrostatic and induction energies in one-centre and multicentre multipole expansions Molecular Physics. 88: 69-92. DOI: 10.1080/00268979609482401 |
0.733 |
|
| 1996 |
Jansen G. The rovibrational spectrum of the ArCO complex calculated from a semiempirically extrapolated coupled pair functional potential energy surface Journal of Chemical Physics. 105: 89-103. DOI: 10.1063/1.471884 |
0.434 |
|
| 1996 |
Jansen G, Colonna F, Ángyán JG. Mixed Quantum-Classical Calculations On The Water Molecule In Liquid Phase: Influence Of A Polarizable Environment On Electronic Properties International Journal of Quantum Chemistry. 58: 251-265. DOI: 10.1002/(Sici)1097-461X(1996)58:3<251::Aid-Qua3>3.0.Co;2-X |
0.31 |
|
| 1994 |
Ángyán JG, Jansen G, Loss M, Hättig C, Heß BA. Distributed polarizabilities using the topological theory of atoms in molecules Chemical Physics Letters. 219: 267-273. DOI: 10.1016/0009-2614(94)87056-X |
0.705 |
|
| 1994 |
Jansen G. Coupled-pair functional calculations on the Ar-CO and Ar2 van der Waals complexes Chemical Physics Letters. 223: 377-382. DOI: 10.1016/0009-2614(94)00457-9 |
0.424 |
|
| 1993 |
Pizlo A, Jansen G, Heß BA, Niessen Wv. Ionization potential and electron affinity of the Au atom and the AuH molecule by all‐electron relativistic configuration interaction and propagator techniques Journal of Chemical Physics. 98: 3945-3951. DOI: 10.1063/1.464021 |
0.438 |
|
| 1993 |
Jansen G, Hess BA, Marian CM, Angyan JG. Ab initio determination of electronic energy splitting and transition rates for imidogen in argon matrixes The Journal of Physical Chemistry. 97: 10011-10020. DOI: 10.1021/J100141A020 |
0.627 |
|
| 1993 |
Blindauer C, Winter M, Sild O, Jansen G, Hess BA, Schurath U. Rotational-electronic splitting of matrix-isolated imidogen(NH/ND) a 1.DELTA. in argon cages of Oh and D3h symmetry: spectroscopic analysis and theoretical interpretation The Journal of Physical Chemistry. 97: 10002-10010. DOI: 10.1021/J100141A019 |
0.607 |
|
| 1993 |
Jansen G, Hess BA, E.S. Wormer P. Theoretical investigation of the rovibrational fine-structure spectrum of ArNH in its electronic ground state Chemical Physics Letters. 214: 103-108. DOI: 10.1016/0009-2614(93)85462-W |
0.358 |
|
| 1992 |
Samzow R, Hess BA, Jansen G. Comment on Relativistic linear combination of Gaussian-type orbitals density-functional method based on a two-component formalism with external field projectors. Journal of Chemical Physics. 96: 6320-6321. DOI: 10.1063/1.462625 |
0.583 |
|
| 1992 |
Samzow R, Hess BA, Jansen G. The two-electron terms of the no-pair Hamiltonian Journal of Chemical Physics. 96: 1227-1231. DOI: 10.1063/1.462210 |
0.652 |
|
| 1992 |
Jansen G, Hess BA. Ab initio interaction potentials between an Ar atom and the NH radical in the states X 3Σ-, a 1Δ and b 1Σ+ Chemical Physics Letters. 192: 21-28. DOI: 10.1016/0009-2614(92)85421-6 |
0.647 |
|
| 1990 |
Ángyán JG, Jansen G. Are direct reaction field methods appropriate for describing dispersion interactions Chemical Physics Letters. 175: 313-318. DOI: 10.1016/0009-2614(90)80116-U |
0.407 |
|
| 1989 |
Jansen G, Hess BA. Revision of the Douglas-Kroll transformation. Physical Review. A. 39: 6016-6017. PMID 9901188 DOI: 10.1103/Physreva.39.6016 |
0.519 |
|
| 1989 |
Jansen G, Hess BA. Relativistic all-electron configuration interaction calculations on the gold atom Chemical Physics Letters. 160: 507-513. DOI: 10.1016/0009-2614(89)80054-5 |
0.646 |
|
| 1989 |
Jansen G, Heß BA. Relativistic all electron configuration interaction calculation of ground and excited states of the gold hydride molecule Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 13: 363-375. DOI: 10.1007/BF01398903 |
0.566 |
|
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