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	1.	Interactions between Methane and Polycyclic Aromatic Hydrocarbons: A High Accuracy Benchmark Study. [electronic resource] by Smith, Daniel G A Patkowski, Konrad Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen. [electronic resource] by Li, Sicheng Smith, Daniel G A Patkowski, Konrad Producer: 20150914 In: Physical chemistry chemical physics : PCCP vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	First-order symmetry-adapted perturbation theory for multiplet splittings. [electronic resource] by Patkowski, Konrad Żuchowski, Piotr S Smith, Daniel G A Producer: 20180611 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Successful orthotopic free autogenous joint grafts in the dog. [electronic resource] by Daniel, G A Entin, M A Kahn, D S Producer: 19750619 In: Canadian journal of surgery. Journal canadien de chirurgie vol. 18 Availability: No items available. Save to lists Add to cart (remove)
	5.	EXPERIMENTAL AUTOGENOUS TRANSPLANTATION OF HEMI-JOINTS IN DOGS. [electronic resource] by DANIEL, G A KAHN, D S ENTIN, M A Producer: 19961201 In: Surgical forum vol. 14 Availability: No items available. Save to lists Add to cart (remove)
	6.	Successful orthotopic free autogenous joint grafts in the dog. [electronic resource] by Daniel, G A Entin, M A Kahn, D S Producer: 19750619 In: Canadian journal of surgery. Journal canadien de chirurgie vol. 18 Availability: No items available. Save to lists Add to cart (remove)
	7.	Highly accurate potential energy surface for the He-H2 dimer. [electronic resource] by Bakr, Brandon W Smith, Daniel G A Patkowski, Konrad Producer: 20140506 In: The Journal of chemical physics vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory. [electronic resource] by Smith, Daniel G A Burns, Lori A Patkowski, Konrad Sherrill, C David Producer: 20180129 In: The journal of physical chemistry letters vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies. [electronic resource] by Smith, Daniel G A Jankowski, Piotr Slawik, Michał Witek, Henryk A Patkowski, Konrad Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory. [electronic resource] by Warden, Constance E Smith, Daniel G A Burns, Lori A Bozkaya, Uğur Sherrill, C David Publication details: The Journal of chemical physics Mar 2020 In: The Journal of chemical physics vol. 152 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces. [electronic resource] by Abbott, Adam S Turney, Justin M Zhang, Boyi Smith, Daniel G A Altarawy, Doaa Schaefer, Henry F Publication details: Journal of chemical theory and computation Aug 2019 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Potential of Cedrella fissilis bark as an adsorbent for the removal of red 97 dye from aqueous effluents. [electronic resource] by Georgin, Jordana Franco, Dison S P Grassi, Patricia Tonato, Denise Piccilli, Daniel G A Meili, Lucas Dotto, Guilherme L Producer: 20190827 In: Environmental science and pollution research international vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Stochastic resolution of identity second-order Matsubara Green's function theory. [electronic resource] by Takeshita, Tyler Y Dou, Wenjie Smith, Daniel G A de Jong, Wibe A Baer, Roi Neuhauser, Daniel Rabani, Eran Publication details: The Journal of chemical physics Jul 2019 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Highly correlated electronic structure calculations of the He-C3 van der Waals complex and collision-induced rotational transitions of C3. [electronic resource] by Smith, Daniel G A Patkowski, Konrad Trinh, Duy Balakrishnan, N Lee, Teck-Ghee Forrey, Robert C Yang, B H Stancil, P C Producer: 20150511 In: The journal of physical chemistry. A vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions. [electronic resource] by Burns, Lori A Faver, John C Zheng, Zheng Marshall, Michael S Smith, Daniel G A Vanommeslaeghe, Kenno MacKerell, Alexander D Merz, Kenneth M Sherrill, C David Producer: 20180611 In: The Journal of chemical physics vol. 147 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science. [electronic resource] by Krylov, Anna Windus, Theresa L Barnes, Taylor Marin-Rimoldi, Eliseo Nash, Jessica A Pritchard, Benjamin Smith, Daniel G A Altarawy, Doaa Saxe, Paul Clementi, Cecilia Crawford, T Daniel Harrison, Robert J Jha, Shantenu Pande, Vijay S Head-Gordon, Teresa Producer: 20181116 In: The Journal of chemical physics vol. 149 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Sharing Data from Molecular Simulations. [electronic resource] by Abraham, Mark Apostolov, Rossen Barnoud, Jonathan Bauer, Paul Blau, Christian Bonvin, Alexandre M J J Chavent, Matthieu Chodera, John Čondić-Jurkić, Karmen Delemotte, Lucie Grubmüller, Helmut Howard, Rebecca J Jordan, E Joseph Lindahl, Erik Ollila, O H Samuli Selent, Jana Smith, Daniel G A Stansfeld, Phillip J Tiemann, Johanna K S Trellet, Mikael Woods, Christopher Zhmurov, Artem Producer: 20200904 In: Journal of chemical information and modeling vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability. [electronic resource] by Parrish, Robert M Burns, Lori A Smith, Daniel G A Simmonett, Andrew C DePrince, A Eugene Hohenstein, Edward G Bozkaya, Uğur Sokolov, Alexander Yu Di Remigio, Roberto Richard, Ryan M Gonthier, Jérôme F James, Andrew M McAlexander, Harley R Kumar, Ashutosh Saitow, Masaaki Wang, Xiao Pritchard, Benjamin P Verma, Prakash Schaefer, Henry F Patkowski, Konrad King, Rollin A Valeev, Edward F Evangelista, Francesco A Turney, Justin M Crawford, T Daniel Sherrill, C David Producer: 20180312 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. [electronic resource] by Smith, Daniel G A Burns, Lori A Sirianni, Dominic A Nascimento, Daniel R Kumar, Ashutosh James, Andrew M Schriber, Jeffrey B Zhang, Tianyuan Zhang, Boyi Abbott, Adam S Berquist, Eric J Lechner, Marvin H Cunha, Leonardo A Heide, Alexander G Waldrop, Jonathan M Takeshita, Tyler Y Alenaizan, Asem Neuhauser, Daniel King, Rollin A Simmonett, Andrew C Turney, Justin M Schaefer, Henry F Evangelista, Francesco A DePrince, A Eugene Crawford, T Daniel Patkowski, Konrad Sherrill, C David Producer: 20180710 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)