Rutgers Main | CIRC | Quantitative Biology   
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Timothy J. Giese

High-level ab initio methods for calculation of accurate potential energy surfaces of van der Waals complexes

Int. J. Quantum Chem., (2004) 98, 388-408
DOI: 10.1002/qua.20074 Download PDF

Examination of the correlation energy and second virial coefficients from accurate ab initio calculations of rare-gas dimers

J. Chem. Phys., (2003) 119, 2618-2622
DOI: 10.1063/1.1587684 Download PDF

A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations

DOI: 10.1021/acs.jctc.7b00161 Download PDF

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