1![THE JOURNAL OF CHEMICAL PHYSICS 130, 194510 共2009兲 On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy Alexander Witt, Sergei D. Ivanov,a兲 Motoyuki Shiga THE JOURNAL OF CHEMICAL PHYSICS 130, 194510 共2009兲 On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy Alexander Witt, Sergei D. Ivanov,a兲 Motoyuki Shiga](https://www.pdfsearch.io/img/9de632dbf2c8c2dfdae429d8e5c107ad.jpg) | Add to Reading ListSource URL: ftp.theochem.ruhr-uni-bochum.deLanguage: English - Date: 2009-05-20 07:41:47
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2![Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies](https://www.pdfsearch.io/img/ab5390038df5027fbef99055b5adff9c.jpg) | Add to Reading ListSource URL: ftp.theochem.rub.deLanguage: English - Date: 2004-02-24 03:00:44
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3![THE JOURNAL OF CHEMICAL PHYSICS 132, 031101 共2010兲 Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water Sergei D. Ivanov,1 Alexander Witt THE JOURNAL OF CHEMICAL PHYSICS 132, 031101 共2010兲 Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water Sergei D. Ivanov,1 Alexander Witt](https://www.pdfsearch.io/img/7372496ad0d012ec2aac6c6115a2d15b.jpg) | Add to Reading ListSource URL: ftp.theochem.ruhr-uni-bochum.deLanguage: English - Date: 2010-01-18 04:42:32
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4![Ab initio path integral molecular dynamics: Basic ideas Dominik Marx and Michele Parrinello Max-Planck-Institut fu¨r Festko¨perforschung, Heisenbergstr. 1, 70569 Stuttgart, Germany ~Received 12 October 1995; accepted 6 Ab initio path integral molecular dynamics: Basic ideas Dominik Marx and Michele Parrinello Max-Planck-Institut fu¨r Festko¨perforschung, Heisenbergstr. 1, 70569 Stuttgart, Germany ~Received 12 October 1995; accepted 6](https://www.pdfsearch.io/img/b98d436f48eada7bdc36f936d41a8add.jpg) | Add to Reading ListSource URL: ftp.theochem.ruhr-uni-bochum.deLanguage: English - Date: 2001-11-05 09:00:44
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5![Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics](https://www.pdfsearch.io/img/2b7588de7ccf3ba7ad4dca24cd8e5469.jpg) | Add to Reading ListSource URL: ftp.theochem.ruhr-uni-bochum.deLanguage: English - Date: 2009-04-01 07:43:53
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6![CHAPTER 5 Kinetic Isotope Effects from Hybrid Classical and Quantum Path Integral Computations JIALI GAO, KIN-YIU WONG, DAN T. MAJOR, CHAPTER 5 Kinetic Isotope Effects from Hybrid Classical and Quantum Path Integral Computations JIALI GAO, KIN-YIU WONG, DAN T. MAJOR,](https://www.pdfsearch.io/img/4041b8458f67ec5135c6e93c9848b113.jpg) | Add to Reading ListSource URL: www.dtc.umn.eduLanguage: English - Date: 2012-08-16 12:29:06
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7![Combined QM/MM and Path Integral Simulations of Kinetic Isotope Effects in the Proton Transfer Reaction Between Nitroethane and Acetate Ion in Water JIALI GAO,1,2 KIN-YIU WONG,1 DAN T. MAJOR1,3 1 Combined QM/MM and Path Integral Simulations of Kinetic Isotope Effects in the Proton Transfer Reaction Between Nitroethane and Acetate Ion in Water JIALI GAO,1,2 KIN-YIU WONG,1 DAN T. MAJOR1,3 1](https://www.pdfsearch.io/img/975e0cb7b6f9b526631ddfe34678374e.jpg) | Add to Reading ListSource URL: www.dtc.umn.eduLanguage: English - Date: 2012-08-16 12:29:04
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