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A. Daniel Boese
A. Daniel Boese
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Title
Cited by
Cited by
Year
Development of density functionals for thermochemical kinetics
AD Boese, JML Martin
The Journal of chemical physics 121 (8), 3405-3416, 2004
16802004
A new parametrization of exchange–correlation generalized gradient approximation functionals
AD Boese, NC Handy
The Journal of Chemical Physics 114 (13), 5497-5503, 2001
8612001
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
5902016
W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range
AD Boese, M Oren, O Atasoylu, JML Martin, M Kállay, J Gauss
The Journal of chemical physics 120 (9), 4129-4141, 2004
5482004
New exchange-correlation density functionals: The role of the kinetic-energy density
AD Boese, NC Handy
The Journal of chemical physics 116 (22), 9559-9569, 2002
5442002
New generalized gradient approximation functionals
AD Boese, NL Doltsinis, NC Handy, M Sprik
The Journal of Chemical Physics 112 (4), 1670-1678, 2000
4582000
Predicting the binding energies of H-bonded complexes: A comparative DFT study
C Tuma, AD Boese, NC Handy
Physical Chemistry Chemical Physics 1 (17), 3939-3947, 1999
2901999
Benchmark study of DFT functionals for late-transition-metal reactions
MM Quintal, A Karton, MA Iron, AD Boese, JML Martin
The Journal of Physical Chemistry A 110 (2), 709-716, 2006
2722006
The role of the basis set: Assessing density functional theory
AD Boese, JML Martin, NC Handy
The Journal of chemical physics 119 (6), 3005-3014, 2003
2532003
From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia
AD Boese, A Chandra, JML Martin, D Marx
The Journal of chemical physics 119 (12), 5965-5980, 2003
1872003
Vibrational spectra of the azabenzenes revisited: anharmonic force fields
AD Boese, JML Martin
The Journal of Physical Chemistry A 108 (15), 3085-3096, 2004
1672004
Density functional theory and hydrogen bonds: are we there yet?
AD Boese
ChemPhysChem 16 (5), 978-985, 2015
1662015
Basis set limit coupled cluster study of H-bonded systems and assessment of more approximate methods
AD Boese, JML Martin, W Klopper
The Journal of Physical Chemistry A 111 (43), 11122-11133, 2007
1042007
C2 fragmentation energy of C60 revisited: theory disagrees with most experiments
AD Boese, GE Scuseria
Chemical physics letters 294 (1-3), 233-236, 1998
951998
Accurate adsorption energies of small molecules on oxide surfaces: CO–MgO (001)
AD Boese, J Sauer
Physical chemistry chemical physics 15 (39), 16481-16493, 2013
782013
How to control single-molecule rotation
GJ Simpson, V García-López, A Daniel Boese, JM Tour, L Grill
Nature communications 10 (1), 4631, 2019
762019
Assessment of various density functionals and basis sets for the calculation of molecular anharmonic force fields
AD Boese, W Klopper, JML Martin
International journal of quantum chemistry 104 (5), 830-845, 2005
762005
Anharmonic force fields and thermodynamic functions using density functional theory
A Daniel Boese, W Klopper, JML Martin*
Molecular Physics 103 (6-8), 863-876, 2005
712005
The infrared spectrum of Au−∙ CO2
AD Boese, H Schneider, AN Glöß, JM Weber
The Journal of chemical physics 122 (15), 2005
652005
Unusual hydrogen bonding behavior in binary complexes of coinage metal anions with water
H Schneider, AD Boese, JM Weber
The Journal of chemical physics 123 (8), 2005
632005
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