Прати
Dave Giesen
Dave Giesen
Schrodinger, Inc.
Верификована је имејл адреса на schrodinger.com
Наслов
Навело
Навело
Година
E-Type Delayed Fluorescence of a Phosphine-Supported Cu2(μ-NAr2)2 Diamond Core: Harvesting Singlet and Triplet Excitons in OLEDs
JC Deaton, SC Switalski, DY Kondakov, RH Young, TD Pawlik, DJ Giesen, ...
Journal of the American Chemical Society 132 (27), 9499-9508, 2010
5522010
Class IV charge models: A new semiempirical approach in quantum chemistry
JW Storer, DJ Giesen, CJ Cramer, DG Truhlar
Journal of computer-aided molecular design 9, 87-110, 1995
4221995
Interfacial chemistry of and LiF with reactive metals
MG Mason, CW Tang, LS Hung, P Raychaudhuri, J Madathil, DJ Giesen, ...
Journal of Applied Physics 89 (5), 2756-2765, 2001
4202001
The MIDI! basis set for quantum mechanical calculations of molecular geometries and partial charges
RE Easton, DJ Giesen, A Welch, CJ Cramer, DG Truhlar
Theoretica chimica acta 93, 281-301, 1996
3921996
Photoemission study of aluminum/tris-(8-hydroxyquinoline) aluminum and aluminum/LiF/tris-(8-hydroxyquinoline) aluminum interfaces
QT Le, L Yan, Y Gao, MG Mason, DJ Giesen, CW Tang
Journal of Applied Physics 87 (1), 375-379, 2000
2472000
High-efficiency, low-voltage phosphorescent organic light-emitting diode devices with mixed host
ME Kondakova, TD Pawlik, RH Young, DJ Giesen, DY Kondakov, ...
Journal of Applied Physics 104 (9), 2008
2462008
Minnesota solvation database
AV Marenich, CP Kelly, JD Thompson, GD Hawkins, CC Chambers, ...
Minnesota Solvation Database version 20, 2012
2072012
A universal organic solvation model
DJ Giesen, MZ Gu, CJ Cramer, DG Truhlar
The Journal of organic chemistry 61 (25), 8720-8721, 1996
1341996
A universal model for the quantum mechanical calculation of free energies of solvation in non-aqueous solvents
DJ Giesen, GD Hawkins, DA Liotard, CJ Cramer, DG Truhlar
Theoretical Chemistry Accounts 98, 85-109, 1997
1321997
General semiempirical quantum mechanical solvation model for nonpolar solvation free energies. n-Hexadecane
DJ Giesen, JW Storer, CJ Cramer, DG Truhlar
Journal of the American Chemical Society 117 (3), 1057-1068, 1995
1311995
A semiempirical quantum mechanical solvation model for solvation free energies in all alkane solvents
DJ Giesen, CJ Cramer, DG Truhlar
The Journal of Physical Chemistry 99 (18), 7137-7146, 1995
1101995
Highly efficient fluorescent-phosphorescent triplet-harvesting hybrid organic light-emitting diodes
ME Kondakova, JC Deaton, TD Pawlik, DJ Giesen, DY Kondakov, ...
Journal of Applied Physics 107 (1), 2010
1042010
Density functional theory: excited states and spin annihilation
CJ Cramer, FJ Dulles, DJ Giesen, J Almlöf
Chemical physics letters 245 (2-3), 165-170, 1995
1041995
Structural, thermal, and spectral characterization of the different crystalline forms of Alq3, tris (quinolin-8-olato) aluminum (III), an electroluminescent material in OLED …
M Rajeswaran, TN Blanton, CW Tang, WC Lenhart, SC Switalski, ...
Polyhedron 28 (4), 835-843, 2009
1032009
Minnesota solvent descriptor database
P Winget, DM Dolney, DJ Giesen, CJ Cramer, DG Truhlar
Minneapolis, MN: Department of Chemistry and Supercomputer Institute, 1999
1011999
Energetics of Electron‐Transfer Reactions of Photoinitiated Polymerization: Dye‐Sensitized Fragmentation of N‐Alkoxypyridinium Salts
IR Gould, D Shukla, D Giesen, S Farid
Helvetica Chimica Acta 84 (9), 2796-2812, 2001
872001
A hybrid quantum mechanical and empirical model for the prediction of isotropic 13 C shielding constants of organic molecules
DJ Giesen, N Zumbulyadis
Physical Chemistry Chemical Physics 4 (22), 5498-5507, 2002
822002
High-throughput molecular dynamics simulations and validation of thermophysical properties of polymers for various applications
MAF Afzal, AR Browning, A Goldberg, MD Halls, JL Gavartin, T Morisato, ...
ACS Applied Polymer Materials 3 (2), 620-630, 2020
802020
Solvation model for chloroform based on class IV atomic charges
DJ Giesen, CC Chambers, CJ Cramer, DG Truhlar
The Journal of Physical Chemistry B 101 (11), 2061-2069, 1997
791997
Coumarin-based, electron-trapping iridium complexes as highly efficient and stable phosphorescent emitters for organic light-emitting diodes
X Ren, ME Kondakova, DJ Giesen, M Rajeswaran, M Madaras, ...
Inorganic chemistry 49 (4), 1301-1303, 2010
682010
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