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Jaap G. Snijders - Publications

Affiliations: 
Chemistry University of Groningen, Groningen, Netherlands 
Area:
Theoretical Chemistry
Website:
http://hoogleraren.ub.rug.nl/?page=showPerson&type=hoogleraar&hoogleraar_id=1567
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64 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2005 van den Bosch M, Swart M, Snijders JG, Berendsen HJ, Mark AE, Oostenbrink C, van Gunsteren WF, Canters GW. Calculation of the redox potential of the protein azurin and some mutants. Chembiochem : a European Journal of Chemical Biology. 6: 738-46. PMID 15747387 DOI: 10.1002/Cbic.200400244  0.71
2004 Swart M, Snijders JG, Van Duijnen PT. Polarizabilities of amino acid residues Journal of Computational Methods in Sciences and Engineering. 4: 419-425. DOI: 10.3233/Jcm-2004-4317  0.539
2003 Jensen L, Van Duijnen PT, Snijders JG. A discrete solvent reaction field model for calculating frequency-dependent hyperpolarizabilities of molecules in solution Journal of Chemical Physics. 119: 12998-13006. DOI: 10.1063/1.1627760  0.504
2003 Jensen L, Van Duijnen PT, Snijders JG. A discrete solvent reaction field model for calculating molecular linear response properties in solution Journal of Chemical Physics. 119: 3800-3809. DOI: 10.1063/1.1590643  0.51
2003 Jensen L, Van Duijnen PT, Snijders JG. A discrete solvent reaction field model within density functional theory Journal of Chemical Physics. 118: 514-521. DOI: 10.1063/1.1527010  0.504
2003 Swart M, Snijders JG. Accuracy of geometries: Influence of basis set, exchange-correlation potential, inclusion of core electrons, and relativistic corrections Theoretical Chemistry Accounts. 110: 34-41. DOI: 10.1007/S00214-003-0443-5  0.526
2003 Jansen TIC, Duppen K, Snijders JG. The Effect of Induced Multipoles on the Fifth-order Raman Response Bulletin of the Korean Chemical Society. 24: 1102-1106.  0.614
2003 Jansen TC, Duppen K, Snijders JG. Close collisions in the two-dimensional Raman response of liquid carbon disulfide Physical Review B - Condensed Matter and Materials Physics. 67: 1342061-1342065.  0.602
2002 Groenhof G, Lensink MF, Berendsen HJ, Snijders JG, Mark AE. Signal transduction in the photoactive yellow protein. I. Photon absorption and the isomerization of the chromophore. Proteins. 48: 202-11. PMID 12112689 DOI: 10.1002/Prot.10136  0.572
2002 van Faassen M, de Boeij PL, van Leeuwen R, Berger JA, Snijders JG. Ultranonlocality in time-dependent current-density-functional theory: application to conjugated polymers. Physical Review Letters. 88: 186401. PMID 12005703 DOI: 10.1103/Physrevlett.88.186401  0.373
2002 Jensen L, Swart M, Van Duijnen PT, Snijders JG. Medium perturbations on the molecular polarizability calculated within a localized dipole interaction model Journal of Chemical Physics. 117: 3316-3320. DOI: 10.1063/1.1494418  0.655
2002 Boeijenga NH, Pugzlys A, Jansen TLC, Snijders JG, Duppen K. Liquid xenon as an ideal probe for many-body effects in impulsive Raman scattering Journal of Chemical Physics. 117: 1181-1187. DOI: 10.1063/1.1483862  0.707
2002 Jansen TIC, Pugzlys A, Crîngu? GD, Snijders JG, Duppen K. Many-body effects in the stimulated Raman response of binary mixtures: A comparison between theory and experiment Journal of Chemical Physics. 116: 9383-9391. DOI: 10.1063/1.1475763  0.681
2002 Jansen TIC, Swart M, Jensen L, Van Duijnen PT, Snijders JG, Duppen K. Collision effects in the nonlinear Raman response of liquid carbon disulfide Journal of Chemical Physics. 116: 3277-3285. DOI: 10.1063/1.1436463  0.767
2002 Hania PR, Telesca R, Lucas LN, Pugzlys A, Van Esch J, Feringa BL, Snijders JG, Duppen K. An optical and theoretical investigation of the ultrafast dynamics of a bisthienylethene-based photochromic switch Journal of Physical Chemistry A. 106: 8498-8507. DOI: 10.1021/Jp020903+  0.657
2002 Wu K, Snijders JG, Lin C. Reinvestigation of hydrogen bond effects on the polarizability and hyperpolarizability of urea molecular clusters Journal of Physical Chemistry B. 106: 8954-8958. DOI: 10.1021/Jp014181I  0.354
2002 Jensen L, Van Duijnen PT, Snijders JG, Chong DP. Time-dependent density functional study of the static second hyperpolarizability of BB-, NN- and BN-substituted C60 Chemical Physics Letters. 359: 524-529. DOI: 10.1016/S0009-2614(02)00739-X  0.46
2001 Telesca R, Bolink H, Yunoki S, Hadziioannou G, Van Duijnen PT, Snijders JG, Jonkman HT, Sawatzky GA. Density-functional study of the evolution of the electronic structure of oligomers of thiophene: Towards a model Hamiltonian Physical Review B - Condensed Matter and Materials Physics. 63: 1551121-15511211. DOI: 10.1103/Physrevb.63.155112  0.31
2001 Puranik M, Umapathy S, Snijders JG, Chandrasekhar J. Structure of the triplet excited state of bromanil from time-resolved resonance Raman spectra and simulation Journal of Chemical Physics. 115: 6106-6114. DOI: 10.1063/1.1398304  0.684
2001 Jansen TIC, Snijders JG, Duppen K. Interaction induced effects in the nonlinear Raman response of liquid CS2: A finite field nonequilibrium molecular dynamics approach Journal of Chemical Physics. 114: 10910-10921. DOI: 10.1063/1.1374959  0.67
2001 Puranik M, Chandrasekhar J, Snijders JG, Umapathy S. Time-resolved resonance Raman and density functional studies on the ground state and short-lived intermediates of tetrabromo-p-benzoquinone Journal of Physical Chemistry A. 105: 10562-10569. DOI: 10.1021/Jp0104987  0.664
2001 te Velde G, Bickelhaupt FM, Baerends EJ, Fonseca Guerra C, van Gisbergen SJA, Snijders JG, Ziegler T. Chemistry with ADF Journal of Computational Chemistry. 22: 931-967. DOI: 10.1002/Jcc.1056  0.515
2001 Swart M, Van Duijnen PT, Snijders JG. A Charge Analysis Derived from an Atomic Multipole Expansion Journal of Computational Chemistry. 22: 79-88. DOI: 10.1002/1096-987X(20010115)22:1<79::Aid-Jcc8>3.0.Co;2-B  0.526
2000 Jansen TIC, Snijders JG, Duppen K. Third- and fifth-order nonlinear Raman response of liquid CS2 calculated using a finite field nonequilibrium molecular dynamics method Journal of Chemical Physics. 113: 307-311. DOI: 10.1063/1.481795  0.66
2000 Fonseca Guerra C, Bickelhaupt FM, Snijders JG, Baerends EJ. Hydrogen bonding in DNA base pairs: Reconciliation of theory and experiment Journal of the American Chemical Society. 122: 4117-4128. DOI: 10.1021/ja993262d  0.407
1999 Van Gisbergen SJA, Schipper PRT, Gritsenko OV, Baerends EJ, Snijders JG, Champagne B, Kirtman B. Electric field dependence of the exchange-correlation potential in molecular chains Physical Review Letters. 83: 694-697. DOI: 10.1103/Physrevlett.83.694  0.388
1999 Champagne B, Perpète EA, van Gisbergen SJA, Baerends E, Snijders JG, Soubra-Ghaoui C, Robins KA, Kirtman B. Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains” [J. Chem. Phys. 109, 10489 (1998)] The Journal of Chemical Physics. 110: 11664-11664. DOI: 10.1063/1.479106  0.469
1999 Rosa A, Baerends EJ, Van Gisbergen SJA, Van Lenthe E, Groeneveld JA, Snijders JG. Electronic spectra of M(CO)6 (M = Cr, Mo, W) revisited by a relativistic TDDFT approach Journal of the American Chemical Society. 121: 10356-10365. DOI: 10.1021/ja990747t  0.374
1999 Van Gisbergen SJA, Snijders JG, Baerends EJ. Implementation of time-dependent density functional response equations Computer Physics Communications. 118: 119-138. DOI: 10.1016/S0010-4655(99)00187-3  0.53
1999 Guerra CF, Bickelhaupt FM, Snijders JG, Baerends EJ. The nature of the hydrogen bond in DNA base pairs: The role of charge transfer and resonance assistance Chemistry - a European Journal. 5: 3581-3594.  0.385
1999 Van Gisbergen SJA, Groeneveld JA, Rosa A, Snijders JG, Baerends EJ. Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4 -, Ni(CO)4, and Mn2(CO)10 Journal of Physical Chemistry A. 103: 6835-6844.  0.449
1998 Van Gisbergen SJA, Kootstra F, Schipper PRT, Gritsenko OV, Snijders JG, Baerends EJ. Density-functional-theory response-property calculations with accurate exchange-correlation potentials Physical Review a - Atomic, Molecular, and Optical Physics. 57: 2556-2571. DOI: 10.1103/Physreva.57.2556  0.567
1998 Van Gisbergen SJA, Snijders JG, Baerends EJ. Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules Journal of Chemical Physics. 109: 10657-10668. DOI: 10.1063/1.477763  0.525
1998 Van Gisbergen SJA, Snijders JG, Baerends EJ. Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory Journal of Chemical Physics. 109: 10644-10656. DOI: 10.1063/1.477762  0.522
1998 Champagne B, Perpète EA, Van Gisbergen SJA, Baerends EJ, Snijders JG, Soubra-Ghaoui C, Robins KA, Kirtman B. Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains Journal of Chemical Physics. 109: 10489-10498. DOI: 10.1063/1.477731  0.47
1998 Swart M, Van Duijnen PT, Snijders JG. Mean polarizabilities of organic molecules. A comparison of Restricted Hartree Fock, Density Functional Theory and Direct Reaction Field results Journal of Molecular Structure: Theochem. 458: 11-17. DOI: 10.1016/S0166-1280(98)00350-9  0.551
1998 Fonseca Guerra C, Snijders JG, Te Velde G, Baerends EJ. Towards an order-N DFT method Theoretical Chemistry Accounts. 99: 391-403. DOI: 10.1007/S002140050353  0.667
1998 Fonseca Guerra C, Snijders JG, te Velde G, Baerends EJ. Towards an order- Theoretical Chemistry Accounts. 99: 391. DOI: 10.1007/S002140050021  0.386
1997 de Groot MJ, Bijloo GJ, van Acker FA, Fonseca Guerra C, Snijders JG, Vermeulen NP. Extension of a predictive substrate model for human cytochrome P4502D6. Xenobiotica; the Fate of Foreign Compounds in Biological Systems. 27: 357-68. PMID 9149375 DOI: 10.1080/004982597240514  0.498
1997 Osinga VP, Van Gisbergen SJA, Snijders JG, Baerends EJ. Density functional results for isotropic and anisotropic multipole polarizabilities and C6, C7, and C8 Van der Waals dispersion coefficients for molecules Journal of Chemical Physics. 106: 5091-5101. DOI: 10.1063/1.473555  0.519
1996 Van Lenthe E, Snijders JG, Baerends EJ. The zero-order regular approximation for relativistic effects: The effect of spin-orbit coupling in closed shell molecules Journal of Chemical Physics. 105: 6505-6516. DOI: 10.1063/1.472460  0.53
1996 Van Gisbergen SJA, Osinga VP, Gritsenko OV, Van Leeuwen R, Snijders JG, Baerends EJ. Improved density functional theory results for frequency-dependent polarizabilities, by the use of an exchange-correlation potential with correct asymptotic behavior Journal of Chemical Physics. 105: 3142-3151. DOI: 10.1063/1.472182  0.523
1995 Van Gisbergen SJA, Snijders JG, Baerends EJ. A density functional theory study of frequency-dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules The Journal of Chemical Physics. 103: 9347-9354. DOI: 10.1063/1.469994  0.544
1995 Faas S, Snijders JG, van Lenthe JH, van Lenthe E, Baerends EJ. The ZORA formalism applied to the Dirac-Fock equation Chemical Physics Letters. 246: 632-640. DOI: 10.1016/0009-2614(95)01156-0  0.51
1995 van Lenthe E, Baerends EJ, Snijders JG. Solving the Dirac equation, using the large component only, in a Dirac-type Slater orbital basis set Chemical Physics Letters. 236: 235-241. DOI: 10.1016/0009-2614(95)00177-6  0.457
1993 Nooijen M, Snijders JG. Coupled cluster Green's function method: Working equations and applications International Journal of Quantum Chemistry. 48: 15-48. DOI: 10.1002/Qua.560480103  0.625
1993 Nooijen M, Snijders JG. Diagrammatic analysis and application of the coupled cluster response approach to ground-state expectation values International Journal of Quantum Chemistry. 47: 3-47. DOI: 10.1002/Qua.560470103  0.62
1992 Nooijen M, Snijders JG. Coupled cluster approach to the single-particle Green's function International Journal of Quantum Chemistry. 44: 55-83. DOI: 10.1002/Qua.560440808  0.563
1991 van Wezenbeek EM, Baerends EJ, Snijders JG. Relativistic bond lengthening of UO2 2+ and UO2 Theoretica Chimica Acta. 81: 139-155. DOI: 10.1007/BF01126676  0.402
1990 Baerends EJ, Schwarz WHE, Schwerdtfeger P, Snijders JG. Relativistic atomic orbital contractions and expansions: Magnitudes and explanations Journal of Physics B: Atomic, Molecular and Optical Physics. 23: 3225-3240. DOI: 10.1088/0953-4075/23/19/010  0.477
1989 Buijse MA, Baerends EJ, Snijders JG. Analysis of correlation in terms of exact local potentials: Applications to two-electron systems. Physical Review. A. 40: 4190-4202. PMID 9902656 DOI: 10.1103/Physreva.40.4190  0.499
1989 Schwarz WHE, Van Wezenbeek EM, Baerends EJ, Snijders JG. The origin of relativistic effects of atomic orbitals Journal of Physics B: Atomic, Molecular and Optical Physics. 22: 1515-1530. DOI: 10.1088/0953-4075/22/10/008  0.465
1989 Ziegler T, Nagle JK, Snijders JG, Baerends EJ. Theoretical study of the electronic structures and absorption spectra of tetracyanoplatinate(2-) and dithallium tetracyanoplatinate(2-) based on density functional theory including relativistic effects Journal of the American Chemical Society. 111: 5631-5635. DOI: 10.1021/Ja00197A020  0.479
1989 Ziegler T, Tschinke V, Baerends EJ, Snijders JG, Ravenek W. Calculation of bond energies in compounds of heavy elements by a quasi-relativistic approach Journal of Physical Chemistry. 93: 3050-3056. DOI: 10.1021/J100345A036  0.495
1988 Boerrigter PM, Baerends EJ, Snijders JG. A relativistic lcao hartree-fock-slater investigation of the electronic structure of the actinocenes M(COT)2, M = Th, Pa, U, Np AND Pu Chemical Physics. 122: 357-374. DOI: 10.1016/0301-0104(88)80018-1  0.474
1988 Holleboom LJ, Snijders JG, Baerends EJ. Natural energy orbitals and the one-particle Green's function International Journal of Quantum Chemistry. 34: 289-300. DOI: 10.1002/Qua.560340310  0.471
1984 Dekock RL, Baerends EJ, Boerrigter PM, Snijders JG. On the nature of the first excited states of the uranyl ion Chemical Physics Letters. 105: 308-316. DOI: 10.1016/0009-2614(84)85036-8  0.448
1981 Ziegler T, Snijders JG, Baerends EJ. Relativistic effects on bonding The Journal of Chemical Physics. 74: 1271-1285. DOI: 10.1063/1.441187  0.5
1981 Snijders JG, Vernooijs P, Baerends EJ. Roothaan-Hartree-Fock-Slater atomic wave functions. Single-zeta, double-zeta, and extended Slater-type basis sets for 87Fr-103Lr Atomic Data and Nuclear Data Tables. 26: 483-509. DOI: 10.1016/0092-640X(81)90004-8  0.426
1980 Geurts PJM, Gosselink JW, Van Der Avoird A, Baerends EJ, Snijders JG. Hartree-fock-slater-LCAO calculations on [Fe4S4(SH)4]0, 2-,3-: a model for the 4-Fe active site in high potential iron protein and ferredoxin Chemical Physics. 46: 133-148. DOI: 10.1016/0301-0104(80)85090-7  0.461
1980 Ziegler T, Snijders J, Baerends E. On the origin of relativistic bond contraction Chemical Physics Letters. 75: 1-4. DOI: 10.1016/0009-2614(80)80451-9  0.396
1979 Snijders JG, Baerends EJ, Ros P. A perturbation theory approach to relativistic calculations II. molecules Molecular Physics. 38: 1909-1929. DOI: 10.1080/00268977900102941  0.515
1978 Snijders JG, Baerends EJ. A perturbation theory approach to relativistic calculations: I. Atoms Molecular Physics. 36: 1789-1804. DOI: 10.1080/00268977800102771  0.519
1977 Snijders JG, Baerends EJ. A non-parametrized pseudopotential scheme adapted to the hartree-fock-slater model Molecular Physics. 33: 1651-1662. DOI: 10.1080/00268977700101371  0.44
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