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- 2020
-
Mark
Identification and analyses of inhibitors targeting apolipoprotein(a) kringle domains KIV-7, KIV-10, and KV provide insight into kringle domain function
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- Contribution to journal › Article
- 2015
-
Mark
Molecular Rift: Virtual Reality for Drug Designers
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- Contribution to journal › Article
- 2014
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Mark
Analytical Gradients of the Second-Order Moller-Plesset Energy Using Cholesky Decompositions
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- Contribution to journal › Article
- 2013
-
Mark
A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package.
(
- Contribution to journal › Article
-
Mark
Analytical Gradients of Hartree-Fock Exchange with Density Fitting Approximations
(
- Contribution to journal › Article
- 2012
-
Mark
Coupled Cluster and Moller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions
(
- Contribution to journal › Article
- 2010
-
Mark
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
(
- Contribution to journal › Article
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Mark
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
(
- Contribution to journal › Article
- 2009
-
Mark
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions
(
- Contribution to journal › Article