Title: Chemistry with ADF Author(s): VELDE, GT; BICKELHAUPT, FM; BAERENDS, EJ; et al. Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 22 Issue: 9 Pages: 931-967 Published: JUL 15 2001 Times Cited: 625
added
26-Feb-09
2.
Title: Kohn-Sham density functional theory: Predicting and understanding chemistry Author(s): BICKELHAUPT, FM; BAERENDS, EJ Source: REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 15 Volume: 15 Pages: 1-86 Published: 2000 Times Cited: 432
added
26-Feb-09
3.
Title: Hydrogen bonding in DNA base pairs: Reconciliation of theory and experiment Author(s): GUERRA, CF; BICKELHAUPT, FM; SNIJDERS, JG; et al. Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 122 Issue: 17 Pages: 4117-4128 Published: MAY 3 2000 Times Cited: 146
added
26-Feb-09
4.
Title: Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis Author(s): GUERRA, CF; HANDGRAAF, JW; BAERENDS, EJ; et al. Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 25 Issue: 2 Pages: 189-210 Published: JAN 30 2004 Times Cited: 139
added
26-Feb-09
5.
Title: The nature of the hydrogen bond in DNA base pairs: The role of charge transfer and resonance assistance Author(s): GUERRA, CF; BICKELHAUPT, FM; SNIJDERS, JG; et al. Source: CHEMISTRY-A EUROPEAN JOURNAL Volume: 5 Issue: 12 Pages: 3581-3594 Published: DEC 1999 Times Cited: 125
added
26-Feb-09
6.
Title: Absolute rates of hole transfer in DNA Author(s): SENTHILKUMAR, K; GROZEMA, FC; GUERRA, CF; et al. Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 127 Issue: 42 Pages: 14894-14903 Published: OCT 26 2005 Times Cited: 106
added
26-Feb-09
7.
Title: CENTRAL BOND IN THE 3 CN-BULLET DIMERS NC-CN, CN-CN, AND CN-NC - ELECTRON PAIR BONDING AND PAULI REPULSION EFFECTS Author(s): BICKELHAUPT, FM; NIBBERING, NMM; VANWEZENBEEK, EM; et al. Source: JOURNAL OF PHYSICAL CHEMISTRY Volume: 96 Issue: 12 Pages: 4864-4873 Published: JUN 11 1992 Times Cited: 103
added
26-Feb-09
8.
Title: The carbon-lithium electron pair bond in (CH3Li)(n) (n=1, 2, 4) Author(s): BICKELHAUPT, FM; HOMMES, NJRV; GUERRA, CF; et al. Source: ORGANOMETALLICS Volume: 15 Issue: 13 Pages: 2923-2931 Published: JUN 25 1996 Times Cited: 101
added
26-Feb-09
9.
Title: The nature of the transition metal-carbonyl bond and the question about the valence orbitals of transition metals. A bond-energy decomposition analysis of TM(CO)(6)(q) (TMq = Hf-_(2-), Ta-, W, Re+, Os2+, Ir3+) Author(s): DIEFENBACH, A; BICKELHAUPT, FM; FRENKING, G Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 122 Issue: 27 Pages: 6449-6458 Published: JUL 12 2000 Times Cited: 90
added
26-Feb-09
10.
Title: Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies Author(s): SENTHILKUMAR, K; GROZEMA, FC; BICKELHAUPT, FM; et al. Source: JOURNAL OF CHEMICAL PHYSICS Volume: 119 Issue: 18 Pages: 9809-9817 Published: NOV 8 2003 Times Cited: 89
