Computational Chemistry
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- 2008
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Mark
PHYS 142-Cholesky decomposition in computational chemistry
2008) 235th American-Chemical-Society National Meeting In Abstracts of Papers of the American Chemical Society 235. p.142-142(
- Contribution to journal › Published meeting abstract
-
Mark
Polymer Mediated Surface Forces
2008)(
- Thesis › Doctoral thesis (monograph)
- 2007
-
Mark
Electrostatics in macromolecular solutions
(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
p-Benzoquinone in aqueous solution: Stark shifts in spectra, asymmetry in solvent structure
(
- Contribution to journal › Article
-
Mark
Performance of density functionals for first row transition metal systems
(
- Contribution to journal › Article
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Mark
Vibrational and thermal effects on the dipole polarizability of methane and carbon tetrachloride from vibrational structure calculations
(
- Contribution to journal › Article
-
Mark
Implications of a high dielectric constant in proteins
(
- Contribution to journal › Article
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Mark
General transition-state force field for cytochrome p450 Hydroxylation
(
- Contribution to journal › Article
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Mark
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
(
- Contribution to journal › Article
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Mark
A simple correlation-corrected theory of systems described by screened Coulomb interactions
(
- Contribution to journal › Article