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- 2013
-
Mark
Analytical Gradients of Hartree-Fock Exchange with Density Fitting Approximations
(
- Contribution to journal › Article
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Mark
MOLCAS-a software for multiconfigurational quantum chemistry calculations
(
- Contribution to journal › Article
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Mark
Parallelization of a multiconfigurational perturbation theory
(
- 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
Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach
(
- Contribution to journal › Published meeting abstract
-
Mark
Basis set representation of the electron density at an atomic nucleus
(
- Contribution to journal › Article
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Mark
Multireference calculations on the chemical origin and mechanism of firefly bioluminescence
(
- Contribution to journal › Published meeting abstract
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Mark
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
(
- Contribution to journal › Article
-
Mark
Color-Tuning Mechanism of Firefly Investigated by Multi-Configurational Perturbation Method.
(
- Contribution to journal › Article