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Bak, Keld L
44  Ergebnisse:
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1

The Dalton quantum chemistry program system:

Aidas, Kestutis ; Angeli, Celestino ; Bak, Keld L....
WIREs Computational Molecular Science.  4 (2013)  3 - p. 269-284 , 2013
Link: https://doi.org/10.1002/..
 
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2

Benchmarking Second Order Methods for the Calculation of Ve..:

Falden, Heidi H. ; Falster-Hansen, Kasper R. ; Bak, Keld L...
The Journal of Physical Chemistry A.  113 (2009)  43 - p. 11995-12012 , 2009
Link: https://doi.org/10.1021/..
 
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3

Accuracy of spectroscopic constants of diatomic molecules f..:

Pawłowski, Filip ; Halkier, Asger ; Jørgensen, Poul...
The Journal of Chemical Physics.  118 (2003)  6 - p. 2539-2549 , 2003
Link: https://doi.org/10.1063/..
 
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4

Molecular equilibrium structures from experimental rotation..:

Pawłowski, Filip ; Jørgensen, Poul ; Olsen, Jeppe...
The Journal of Chemical Physics.  116 (2002)  15 - p. 6482-6496 , 2002
Link: https://doi.org/10.1063/..
 
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5

Ab initio calculations on 2-imidazolyl-2-thiazolyl azo comp..:

Åstrand, Per-Olof ; Bak, Keld L ; Sauer, Stephan P.A
Chemical Physics Letters.  343 (2001)  1-2 - p. 171-177 , 2001
Link: https://doi.org/10.1016/..
 
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6

The accurate determination of molecular equilibrium structu..:

Bak, Keld L. ; Gauss, Jürgen ; Jørgensen, Poul...
The Journal of Chemical Physics.  114 (2001)  15 - p. 6548-6556 , 2001
Link: https://doi.org/10.1063/..
 
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7

Five-membered rings as diazo components in optical data sto..:

Åstrand, Per-Olof ; Sommer-Larsen, Peter ; Hvilsted, Søren...
Chemical Physics Letters.  325 (2000)  1-3 - p. 115-119 , 2000
Link: https://doi.org/10.1016/..
 
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8

The accuracy of molecular dipole moments in standard electr..:

Bak, Keld L ; Gauss, Jürgen ; Helgaker, Trygve..
Chemical Physics Letters.  319 (2000)  5-6 - p. 563-568 , 2000
Link: https://doi.org/10.1016/..
 
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9

Accuracy of atomization energies and reaction enthalpies in..:

Bak, Keld L. ; Jørgensen, Poul ; Olsen, Jeppe..
The Journal of Chemical Physics.  112 (2000)  21 - p. 9229-9242 , 2000
Link: https://doi.org/10.1063/..
 
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10

Atomic integral driven second order polarization propagator..:

Bak, Keld L. ; Koch, Henrik ; Oddershede, Jens..
The Journal of Chemical Physics.  112 (2000)  9 - p. 4173-4185 , 2000
Link: https://doi.org/10.1063/..
 
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11

Coupled-cluster singles, doubles and triples (CCSDT) calcul..:

Bak, Keld L ; Jørgensen, Poul ; Olsen, Jeppe..
Chemical Physics Letters.  317 (2000)  1-2 - p. 116-122 , 2000
Link: https://doi.org/10.1016/..
 
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12

Ab Initio Calculations and Display of Enantiomeric and None..:

Hansen, Aage E. ; Bak, Keld L.
The Journal of Physical Chemistry A.  104 (2000)  48 - p. 11362-11370 , 2000
Link: https://doi.org/10.1021/..
 
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13

Ab Initio Calculation of the Electronic Spectrum of Azobenz..:

Åstrand, Per-Olof ; Ramanujam, P. S. ; Hvilsted, Søren..
Journal of the American Chemical Society.  122 (2000)  14 - p. 3482-3487 , 2000
Link: https://doi.org/10.1021/..
 
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14

Highly accurate calculations of molecular electronic struct..:

Klopper, Wim ; Bak, Keld L ; Jørgensen, Poul..
Journal of Physics B: Atomic, Molecular and Optical Physics.  32 (1999)  13 - p. R103-R130 , 1999
Link: https://doi.org/10.1088/..
 
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15

A second-order doubles correction to excitation energies in..:

Christiansen, Ove ; Bak, Keld L. ; Koch, Henrik.
Chemical Physics Letters.  284 (1998)  1-2 - p. 47-55 , 1998
Link: https://doi.org/10.1016/..
 
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