| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A direct implementation of the second-order derivatives of multiconfigurational SCF energies and an analysis of the preconditioning in the associated response equation
|
BERNHARDSSON, ANDERS
|
|
1999
|
96 |
4 |
p. 617-628
|
artikel
|
| 2 |
An analysis of chlorine and bromine oxygen bonding and its implications for stratospheric chemistry
|
LEE, TIMOTHY J.
|
|
1999
|
96 |
4 |
p. 633-643
|
artikel
|
| 3 |
An improved semidirect MP2 gradient method
|
HEAD-GORDON, MARTIN
|
|
1999
|
96 |
4 |
p. 673-679
|
artikel
|
| 4 |
ANNOUNCEMENT
|
|
|
1999
|
96 |
4 |
p. 741
|
artikel
|
| 5 |
A study of some unusual hydrides: BeH2, BeH+6 and SH6
|
HINZE, JUERGEN
|
|
1999
|
96 |
4 |
p. 711-718
|
artikel
|
| 6 |
A theoretical study of the electronic spectrum of s-tetrazine
|
RUBIO, MERCEDES
|
|
1999
|
96 |
4 |
p. 603-615
|
artikel
|
| 7 |
Benchmark ab initio thermochemistry of the isomers of diimide, N2H2, using accurate computed structures and anharmonic force fields
|
MARTIN, JAN M. L.
|
|
1999
|
96 |
4 |
p. 681-692
|
artikel
|
| 8 |
Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta
|
VAN MOURIK, TANJA
|
|
1999
|
96 |
4 |
p. 529-547
|
artikel
|
| 9 |
Bond dissociation energies for substituted polycyclic aromatic hydrocarbons and their cations
|
BAUSCHLICHER, CHARLES W.
|
|
1999
|
96 |
4 |
p. 471-476
|
artikel
|
| 10 |
Bonding and bending in the actinyls
|
DYALL, KENNETH G.
|
|
1999
|
96 |
4 |
p. 511-518
|
artikel
|
| 11 |
Characterization of the indacene S0/S1 conical intersection: an MMVB and CASSCF study
|
BEARPARK, MICHAEL J.
|
|
1999
|
96 |
4 |
p. 645-652
|
artikel
|
| 12 |
Coupled-cluster studies of singlet propynylidene
|
STANTON, JOHN F.
|
|
1999
|
96 |
4 |
p. 505-509
|
artikel
|
| 13 |
Cyclopentadiene stability: quantum Monte Carlo, coupled cluster, and density functional theory determinations
|
GROSSMAN, JEFFREY C.
|
|
1999
|
96 |
4 |
p. 629-632
|
artikel
|
| 14 |
Excited electronic states of carbon disulphide
|
BROWN, SHAWN T.
|
|
1999
|
96 |
4 |
p. 693-704
|
artikel
|
| 15 |
How do coinage metal ions bind to benzene?
|
DARGEL, THOMAS K.
|
|
1999
|
96 |
4 |
p. 583-591
|
artikel
|
| 16 |
Integral-direct electron correlation methods
|
SCHUTZ, MARTIN
|
|
1999
|
96 |
4 |
p. 719-733
|
artikel
|
| 17 |
Ligands with radical character for high oxidation states in manganese and iron complexes
|
BLOMBERG, MARGARETA R. A.
|
|
1999
|
96 |
4 |
p. 571-581
|
artikel
|
| 18 |
On the electronic structure of Si3O2 and its anion
|
DUPUIS, MICHEL
|
|
1999
|
96 |
4 |
p. 549-553
|
artikel
|
| 19 |
Quasidegenerate second-order perturbation corrections to single-excitation configuration interaction
|
HEAD-GORDON, MARTIN
|
|
1999
|
96 |
4 |
p. 593-602
|
artikel
|
| 20 |
Reassignment of the AlSi— photoelectron spectrum by ab initio configuration interaction calculations
|
GHANTY, TAPAN K.
|
|
1999
|
96 |
4 |
p. 735-740
|
artikel
|
| 21 |
Scientific Publications of Bowen Liu
|
|
|
1999
|
96 |
4 |
p. 467-470
|
artikel
|
| 22 |
Subtle basis set effects on hydrogen bonded systems
|
TSCHUMPER, GREGORY S.
|
|
1999
|
96 |
4 |
p. 493-504
|
artikel
|
| 23 |
The calculation of molecular geometrical properties in the Hellmann—Feynman approximation
|
BAKKEN, VEBJØSRN
|
|
1999
|
96 |
4 |
p. 653-671
|
artikel
|
| 24 |
The dissociation energies of He2, HeH, and ArH: a bond function study
|
PARTRIDGE, HARRY
|
|
1999
|
96 |
4 |
p. 705-710
|
artikel
|
| 25 |
The interacting correlated fragments method with non-orthogonal orbitals
|
VAN LENTHE, J.H.
|
|
1999
|
96 |
4 |
p. 555-558
|
artikel
|
| 26 |
The MP2 limit correction applied to coupled cluster calculations of the electronic dissociation energies of the hydrogen fluoride and water dimers
|
KLOPPER, WIM
|
|
1999
|
96 |
4 |
p. 559-570
|
artikel
|
| 27 |
Theoretical investigation of the weakly bonded donor—acceptor complexes X3B—H2, X3B—C2H4, and X3B—C2H2 (X = H, F, Cl)
|
FAU, STEFAN
|
|
1999
|
96 |
4 |
p. 519-527
|
artikel
|
| 28 |
The vibrational energy levels of ammonia
|
HANDY, NICHOLAS C.
|
|
1999
|
96 |
4 |
p. 477-491
|
artikel
|
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