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Items: 11

1.

Testing inhomogeneous solvation theory in structure-based ligand discovery.

Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK.

Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):E6839-E6846. doi: 10.1073/pnas.1703287114. Epub 2017 Jul 31.

2.

An explicitly correlated local coupled cluster method for calculations of large molecules close to the basis set limit.

Adler TB, Werner HJ.

J Chem Phys. 2011 Oct 14;135(14):144117. doi: 10.1063/1.3647565.

PMID:
22010708
3.

Local explicitly correlated coupled-cluster methods: efficient removal of the basis set incompleteness and domain errors.

Adler TB, Werner HJ.

J Chem Phys. 2009 Jun 28;130(24):241101. doi: 10.1063/1.3160675.

PMID:
19566135
4.

Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules.

Adler TB, Werner HJ, Manby FR.

J Chem Phys. 2009 Feb 7;130(5):054106. doi: 10.1063/1.3040174.

PMID:
19206957
5.

Simplified CCSD(T)-F12 methods: theory and benchmarks.

Knizia G, Adler TB, Werner HJ.

J Chem Phys. 2009 Feb 7;130(5):054104. doi: 10.1063/1.3054300.

PMID:
19206955
6.

Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.

Peterson KA, Adler TB, Werner HJ.

J Chem Phys. 2008 Feb 28;128(8):084102. doi: 10.1063/1.2831537.

PMID:
18315028
7.

A simple and efficient CCSD(T)-F12 approximation.

Adler TB, Knizia G, Werner HJ.

J Chem Phys. 2007 Dec 14;127(22):221106.

PMID:
18081383
8.

General orbital invariant MP2-F12 theory.

Werner HJ, Adler TB, Manby FR.

J Chem Phys. 2007 Apr 28;126(16):164102.

PMID:
17477584
9.

Chirality-induced switch in hydrogen-bond topology: tetrameric methyl lactate clusters in the gas phase.

Adler TB, Borho N, Reiher M, Suhm MA.

Angew Chem Int Ed Engl. 2006 May 19;45(21):3440-5. No abstract available.

PMID:
16671143
10.

Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition.

Fárník M, Weimann M, Steinbach C, Buck U, Borho N, Adler TB, Suhm MA.

Phys Chem Chem Phys. 2006 Mar 14;8(10):1148-58. Epub 2006 Jan 20.

PMID:
16633595
11.

Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor.

Manby FR, Werner HJ, Adler TB, May AJ.

J Chem Phys. 2006 Mar 7;124(9):94103.

PMID:
16526841

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