| 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 |
0.536 |
|
| 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 |
0.503 |
|
| 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 |
0.509 |
|
| 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 |
0.503 |
|
| 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 |
0.523 |
|
| 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 |
0.653 |
|
| 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 |
0.766 |
|
| 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+ |
0.656 |
|
| 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 |
0.459 |
|
| 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 |
0.524 |
|
| 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 |
0.566 |
|
| 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 |
0.549 |
|
| 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 |
0.666 |
|
| 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 |
0.496 |
|
| 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 |
0.509 |
|
| 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 |
0.624 |
|
| 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 |
0.619 |
|
| 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 |
0.562 |
|
| 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 |
0.498 |
|
| 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 |
0.464 |
|
| 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 |
0.425 |
|
| 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 |
0.46 |
|
| 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 |
0.514 |
|
| 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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