Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 703 entries
Sorted by: Best Match Show Resources per page
[Organized and professional crime: a comparative approach].

Quaderni di criminologia clinica

Kerner HJ, Mack JA.
PMID: 1230832
Quad Criminol Clin. 1975 Oct-Dec;17(4):519-46.

After a short preliminary statement of a terminological character, the authors review the basic features of professional and organized crime, also in relation to historically well defined aspects of it, of the "crime-syndicate" type. The tracts differentiating in this...

Cite
Kerner HJ, Mack JA. Delitto organizzato e delitto professionale: un approccio comparativo [Organized and professional crime: a comparative approach]. Quad Criminol Clin. 1975;17(4):519-46
Kerner, H. J., & Mack, J. A. (1975). Delitto organizzato e delitto professionale: un approccio comparativo [Organized and professional crime: a comparative approach]. Quaderni di criminologia clinica, 17(4), 519-46.
Kerner, H J, and Mack, J A. "Delitto organizzato e delitto professionale: un approccio comparativo" [Organized and professional crime: a comparative approach]. Quaderni di criminologia clinica vol. 17,4 (1975): 519-46.
Kerner HJ, Mack JA. Delitto organizzato e delitto professionale: un approccio comparativo [Organized and professional crime: a comparative approach]. Quad Criminol Clin. 1975 Oct-Dec;17(4):519-46. Italian. PMID: 1230832.
Copy Download .nbib Format: NLM
What Is the Price of Open-Source Software?.

The journal of physical chemistry letters

Krylov AI, Herbert JM, Furche F, Head-Gordon M, Knowles PJ, Lindh R, Manby FR, Pulay P, Skylaris CK, Werner HJ.
PMID: 26266858
J Phys Chem Lett. 2015 Jul 16;6(14):2751-4. doi: 10.1021/acs.jpclett.5b01258.

No abstract available.

Cite
Krylov AI, Herbert JM, Furche F, et al. What Is the Price of Open-Source Software?. J Phys Chem Lett. 2015;6(14):2751-4doi: 10.1021/acs.jpclett.5b01258.
Krylov, A. I., Herbert, J. M., Furche, F., Head-Gordon, M., Knowles, P. J., Lindh, R., Manby, F. R., Pulay, P., Skylaris, C. K., & Werner, H. J. (2015). What Is the Price of Open-Source Software?. The journal of physical chemistry letters, 6(14), 2751-4. https://doi.org/10.1021/acs.jpclett.5b01258
Krylov, Anna I, et al. "What Is the Price of Open-Source Software?." The journal of physical chemistry letters vol. 6,14 (2015): 2751-4. doi: https://doi.org/10.1021/acs.jpclett.5b01258
Krylov AI, Herbert JM, Furche F, Head-Gordon M, Knowles PJ, Lindh R, Manby FR, Pulay P, Skylaris CK, Werner HJ. What Is the Price of Open-Source Software?. J Phys Chem Lett. 2015 Jul 16;6(14):2751-4. doi: 10.1021/acs.jpclett.5b01258. PMID: 26266858.
Copy Download .nbib Format: NLM
Accurate thermochemistry from explicitly correlated distinguishable cluster approximation.

The Journal of chemical physics

Kats D, Kreplin D, Werner HJ, Manby FR.
PMID: 25681891
J Chem Phys. 2015 Feb 14;142(6):064111. doi: 10.1063/1.4907591.

An explicitly correlated version of the distinguishable-cluster approximation is presented and extensively benchmarked. It is shown that the usual F12-type explicitly correlated approaches are applicable to distinguishable-cluster theory with single and double excitations, and the results show a significant...

Cite
Kats D, Kreplin D, Werner HJ, et al. Accurate thermochemistry from explicitly correlated distinguishable cluster approximation. J Chem Phys. 2015;142(6):064111doi: 10.1063/1.4907591.
Kats, D., Kreplin, D., Werner, H. J., & Manby, F. R. (2015). Accurate thermochemistry from explicitly correlated distinguishable cluster approximation. The Journal of chemical physics, 142(6), 064111. https://doi.org/10.1063/1.4907591
Kats, Daniel, et al. "Accurate thermochemistry from explicitly correlated distinguishable cluster approximation." The Journal of chemical physics vol. 142,6 (2015): 064111. doi: https://doi.org/10.1063/1.4907591
Kats D, Kreplin D, Werner HJ, Manby FR. Accurate thermochemistry from explicitly correlated distinguishable cluster approximation. J Chem Phys. 2015 Feb 14;142(6):064111. doi: 10.1063/1.4907591. PMID: 25681891.
Copy Download .nbib Format: NLM
Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD).

Journal of chemical theory and computation

Schwilk M, Ma Q, Köppl C, Werner HJ.
PMID: 28661673
J Chem Theory Comput. 2017 Aug 08;13(8):3650-3675. doi: 10.1021/acs.jctc.7b00554. Epub 2017 Jul 19.

A well-parallelized local singles and doubles coupled-cluster (LCCSD) method using pair natural virtual orbitals (PNOs) is presented. The PNOs are constructed using large domains of projected atomic orbitals (PAOs) and orbital specific virtual orbitals (OSVs). We introduce a hierarchy...

Cite
Schwilk M, Ma Q, Köppl C, et al. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD). J Chem Theory Comput. 2017;13(8):3650-3675doi: 10.1021/acs.jctc.7b00554.
Schwilk, M., Ma, Q., Köppl, C., & Werner, H. J. (2017). Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD). Journal of chemical theory and computation, 13(8), 3650-3675. https://doi.org/10.1021/acs.jctc.7b00554
Schwilk, Max, et al. "Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD)." Journal of chemical theory and computation vol. 13,8 (2017): 3650-3675. doi: https://doi.org/10.1021/acs.jctc.7b00554
Schwilk M, Ma Q, Köppl C, Werner HJ. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD). J Chem Theory Comput. 2017 Aug 08;13(8):3650-3675. doi: 10.1021/acs.jctc.7b00554. Epub 2017 Jul 19. PMID: 28661673.
Copy Download .nbib Format: NLM
Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting.

Journal of chemical theory and computation

Köppl C, Werner HJ.
PMID: 27267488
J Chem Theory Comput. 2016 Jul 12;12(7):3122-34. doi: 10.1021/acs.jctc.6b00251. Epub 2016 Jun 27.

Calculations using modern linear-scaling electron-correlation methods are often much faster than the necessary reference Hartree-Fock (HF) calculations. We report a newly implemented HF program that speeds up the most time-consuming step, namely, the evaluation of the exchange contributions to...

Cite
Köppl C, Werner HJ. Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting. J Chem Theory Comput. 2016;12(7):3122-34doi: 10.1021/acs.jctc.6b00251.
Köppl, C., & Werner, H. J. (2016). Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting. Journal of chemical theory and computation, 12(7), 3122-34. https://doi.org/10.1021/acs.jctc.6b00251
Köppl, Christoph, and Werner, Hans-Joachim. "Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting." Journal of chemical theory and computation vol. 12,7 (2016): 3122-34. doi: https://doi.org/10.1021/acs.jctc.6b00251
Köppl C, Werner HJ. Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting. J Chem Theory Comput. 2016 Jul 12;12(7):3122-34. doi: 10.1021/acs.jctc.6b00251. Epub 2016 Jun 27. PMID: 27267488.
Copy Download .nbib Format: NLM
Troubleshooting the Femoral Attachment During Medial Patellofemoral Ligament Reconstruction: Location, Location, Location.

Orthopaedic journal of sports medicine

Burrus MT, Werner BC, Conte EJ, Diduch DR.
PMID: 26535373
Orthop J Sports Med. 2015 Jan 29;3(1):2325967115569198. doi: 10.1177/2325967115569198. eCollection 2015 Jan.

The medial patellofemoral ligament (MPFL) has been recognized as an important soft tissue restraint in preventing lateral patellar translation. As many patients with acute or chronic patellar instability will have a deficient MPFL, reconstruction of this ligament is becoming...

Cite
Burrus MT, Werner BC, Conte EJ, et al. Troubleshooting the Femoral Attachment During Medial Patellofemoral Ligament Reconstruction: Location, Location, Location. Orthop J Sports Med. 2015;3(1):2325967115569198doi: 10.1177/2325967115569198.
Burrus, M. T., Werner, B. C., Conte, E. J., & Diduch, D. R. (2015). Troubleshooting the Femoral Attachment During Medial Patellofemoral Ligament Reconstruction: Location, Location, Location. Orthopaedic journal of sports medicine, 3(1), 2325967115569198. https://doi.org/10.1177/2325967115569198
Burrus, M Tyrrell, et al. "Troubleshooting the Femoral Attachment During Medial Patellofemoral Ligament Reconstruction: Location, Location, Location." Orthopaedic journal of sports medicine vol. 3,1 (2015): 2325967115569198. doi: https://doi.org/10.1177/2325967115569198
Burrus MT, Werner BC, Conte EJ, Diduch DR. Troubleshooting the Femoral Attachment During Medial Patellofemoral Ligament Reconstruction: Location, Location, Location. Orthop J Sports Med. 2015 Jan 29;3(1):2325967115569198. doi: 10.1177/2325967115569198. eCollection 2015 Jan. PMID: 26535373; PMCID: PMC4555580.
Copy Download .nbib Format: NLM
van der waals interactions in the Cl + HD reaction.

Science (New York, N.Y.)

Skouteris D, Manolopoulos DE, Bian W, Werner HJ, Lai LH, Liu K.
PMID: 10576733
Science. 1999 Nov 26;286(5445):1713-6. doi: 10.1126/science.286.5445.1713.

The van der Waals forces in the entrance valley of the Cl + HD reaction are shown here to play a decisive role in the reaction's dynamics. Exact quantum mechanical calculations of reactive scattering on a potential energy surface...

Cite
Skouteris D, Manolopoulos DE, Bian W, et al. van der waals interactions in the Cl + HD reaction. Science. 1999;286(5445):1713-6doi: 10.1126/science.286.5445.1713.
Skouteris, D., Manolopoulos, D. E., Bian, W., Werner, H. J., Lai, L. H., & Liu, K. (1999). van der waals interactions in the Cl + HD reaction. Science (New York, N.Y.), 286(5445), 1713-6. https://doi.org/10.1126/science.286.5445.1713
Skouteris, et al. "van der waals interactions in the Cl + HD reaction." Science (New York, N.Y.) vol. 286,5445 (1999): 1713-6. doi: https://doi.org/10.1126/science.286.5445.1713
Skouteris D, Manolopoulos DE, Bian W, Werner HJ, Lai LH, Liu K. van der waals interactions in the Cl + HD reaction. Science. 1999 Nov 26;286(5445):1713-6. doi: 10.1126/science.286.5445.1713. PMID: 10576733.
Copy Download .nbib Format: NLM
Corrigendum to "Screening postmortem blood and tissues for nine classes of drugs of abuse using automated microplate immunoassay".

Forensic science international

Moore KA, Werner C, Zanelli RM, Levine B, Smith ML.
PMID: 10924849
Forensic Sci Int. 2000 Oct 09;114(1):49. doi: 10.1016/s0379-0738(00)00297-8.

No abstract available.

Cite
Moore KA, Werner C, Zanelli RM, et al. Corrigendum to "Screening postmortem blood and tissues for nine classes of drugs of abuse using automated microplate immunoassay". Forensic Sci Int. 2000;114(1):49doi: 10.1016/s0379-0738(00)00297-8.
Moore, K. A., Werner, C., Zanelli, R. M., Levine, B., & Smith, M. L. (2000). Corrigendum to "Screening postmortem blood and tissues for nine classes of drugs of abuse using automated microplate immunoassay". Forensic science international, 114(1), 49. https://doi.org/10.1016/s0379-0738(00)00297-8
Moore, et al. "Corrigendum to "Screening postmortem blood and tissues for nine classes of drugs of abuse using automated microplate immunoassay"." Forensic science international vol. 114,1 (2000): 49. doi: https://doi.org/10.1016/s0379-0738(00)00297-8
Moore KA, Werner C, Zanelli RM, Levine B, Smith ML. Corrigendum to "Screening postmortem blood and tissues for nine classes of drugs of abuse using automated microplate immunoassay". Forensic Sci Int. 2000 Oct 09;114(1):49. doi: 10.1016/s0379-0738(00)00297-8. PMID: 10924849.
Copy Download .nbib Format: NLM
Unusual pathways for metal-assisted C[bond]C and C[bond]P coupling reactions using allenylidenerhodium complexes as precursors.

Journal of the American Chemical Society

Werner H, Wiedemann R, Laubender M, Windmüller B, Steinert P, Gevert O, Wolf J.
PMID: 12059220
J Am Chem Soc. 2002 Jun 19;124(24):6966-80. doi: 10.1021/ja012479g.

The rhodium allenylidenes trans-[RhCl[[double bond]C[double bond]C[double bond]C(Ph)R](PiPr(3))(2)] [R = Ph (1), p-Tol (2)] react with NaC(5)H(5) to give the half-sandwich type complexes [(eta(5)-C(5)H(5))Rh[[double bond]C[double bond]C[double bond]C(Ph)R](PiPr(3))] (3, 4). The reaction of 1 with the Grignard reagent CH(2)[double bond]CHMgBr affords...

Cite
Werner H, Wiedemann R, Laubender M, et al. Unusual pathways for metal-assisted C[bond]C and C[bond]P coupling reactions using allenylidenerhodium complexes as precursors. J Am Chem Soc. 2002;124(24):6966-80doi: 10.1021/ja012479g.
Werner, H., Wiedemann, R., Laubender, M., Windmüller, B., Steinert, P., Gevert, O., & Wolf, J. (2002). Unusual pathways for metal-assisted C[bond]C and C[bond]P coupling reactions using allenylidenerhodium complexes as precursors. Journal of the American Chemical Society, 124(24), 6966-80. https://doi.org/10.1021/ja012479g
Werner, Helmut, et al. "Unusual pathways for metal-assisted C[bond]C and C[bond]P coupling reactions using allenylidenerhodium complexes as precursors." Journal of the American Chemical Society vol. 124,24 (2002): 6966-80. doi: https://doi.org/10.1021/ja012479g
Werner H, Wiedemann R, Laubender M, Windmüller B, Steinert P, Gevert O, Wolf J. Unusual pathways for metal-assisted C[bond]C and C[bond]P coupling reactions using allenylidenerhodium complexes as precursors. J Am Chem Soc. 2002 Jun 19;124(24):6966-80. doi: 10.1021/ja012479g. PMID: 12059220.
Copy Download .nbib Format: NLM
Synthesis, molecular structure, and C-C coupling reactions of carbeneruthenium(II) complexes with C5H5Ru(=CRR') and C5Me5Ru(=CRR') as molecular units.

Chemistry (Weinheim an der Bergstrasse, Germany)

Braun T, Münch G, Windmüller B, Gevert O, Laubender M, Werner H.
PMID: 12794894
Chemistry. 2003 Jun 06;9(11):2516-30. doi: 10.1002/chem.200304740.

The ethene derivatives [(eta(5)-C(5)R(5))RuX(C(2)H(4))(PPh(3))] with R=H and Me, which have been prepared from the eta(3)-allylic compounds [(eta(5)-C(5)R(5))Ru(eta(3)-2-MeC(3)H(4))(PPh(3))] (1, 2) and acids HX under an ethene atmosphere, are excellent starting materials for the synthesis of a series of new halfsandwich-type...

Cite
Braun T, Münch G, Windmüller B, et al. Synthesis, molecular structure, and C-C coupling reactions of carbeneruthenium(II) complexes with C5H5Ru(=CRR') and C5Me5Ru(=CRR') as molecular units. Chemistry. 2003;9(11):2516-30doi: 10.1002/chem.200304740.
Braun, T., Münch, G., Windmüller, B., Gevert, O., Laubender, M., & Werner, H. (2003). Synthesis, molecular structure, and C-C coupling reactions of carbeneruthenium(II) complexes with C5H5Ru(=CRR') and C5Me5Ru(=CRR') as molecular units. Chemistry (Weinheim an der Bergstrasse, Germany), 9(11), 2516-30. https://doi.org/10.1002/chem.200304740
Braun, Thomas, et al. "Synthesis, molecular structure, and C-C coupling reactions of carbeneruthenium(II) complexes with C5H5Ru(=CRR') and C5Me5Ru(=CRR') as molecular units." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 9,11 (2003): 2516-30. doi: https://doi.org/10.1002/chem.200304740
Braun T, Münch G, Windmüller B, Gevert O, Laubender M, Werner H. Synthesis, molecular structure, and C-C coupling reactions of carbeneruthenium(II) complexes with C5H5Ru(=CRR') and C5Me5Ru(=CRR') as molecular units. Chemistry. 2003 Jun 06;9(11):2516-30. doi: 10.1002/chem.200304740. PMID: 12794894.
Copy Download .nbib Format: NLM
An Unprecedented.

Angewandte Chemie (International ed. in English)

Gil-Rubio J, Weberndörfer B, Werner H.
PMID: 10760870
Angew Chem Int Ed Engl. 2000 Feb;39(4):786-789. doi: 10.1002/(sici)1521-3773(20000218)39:4<786::aid-anie786>3.0.co;2-r.

No abstract available.

Cite
Gil-Rubio J, Weberndörfer B, Werner H. An Unprecedented. Angew Chem Int Ed Engl. 2000;39(4):786-789doi: 10.1002/(sici)1521-3773(20000218)39:4<786::aid-anie786>3.0.co;2-r.
Gil-Rubio, J., Weberndörfer, B., & Werner, H. (2000). An Unprecedented. Angewandte Chemie (International ed. in English), 39(4), 786-789. https://doi.org/10.1002/(sici)1521-3773(20000218)39:4<786::aid-anie786>3.0.co;2-r
Gil-Rubio, et al. "An Unprecedented." Angewandte Chemie (International ed. in English) vol. 39,4 (2000): 786-789. doi: https://doi.org/10.1002/(sici)1521-3773(20000218)39:4<786::aid-anie786>3.0.co;2-r
Gil-Rubio J, Weberndörfer B, Werner H. An Unprecedented. Angew Chem Int Ed Engl. 2000 Feb;39(4):786-789. doi: 10.1002/(sici)1521-3773(20000218)39:4<786::aid-anie786>3.0.co;2-r. PMID: 10760870.
Copy Download .nbib Format: NLM
Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions.

Physical review letters

Balucani N, Skouteris D, Cartechini L, Capozza G, Segoloni E, Casavecchia P, Alexander MH, Capecchi G, Werner HJ.
PMID: 12906538
Phys Rev Lett. 2003 Jul 04;91(1):013201. doi: 10.1103/PhysRevLett.91.013201. Epub 2003 Jul 03.

To assess the relative reactivity of the spin-orbit excited state of atomic Cl with molecular hydrogen, we have measured differential cross sections using an atomic Cl beam with a known concentration of the ground and excited spin-orbit states. These...

Cite
Balucani N, Skouteris D, Cartechini L, et al. Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions. Phys Rev Lett. 2003;91(1):013201doi: 10.1103/PhysRevLett.91.013201.
Balucani, N., Skouteris, D., Cartechini, L., Capozza, G., Segoloni, E., Casavecchia, P., Alexander, M. H., Capecchi, G., & Werner, H. J. (2003). Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions. Physical review letters, 91(1), 013201. https://doi.org/10.1103/PhysRevLett.91.013201
Balucani, N, et al. "Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions." Physical review letters vol. 91,1 (2003): 013201. doi: https://doi.org/10.1103/PhysRevLett.91.013201
Balucani N, Skouteris D, Cartechini L, Capozza G, Segoloni E, Casavecchia P, Alexander MH, Capecchi G, Werner HJ. Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions. Phys Rev Lett. 2003 Jul 04;91(1):013201. doi: 10.1103/PhysRevLett.91.013201. Epub 2003 Jul 03. PMID: 12906538.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 703 entries