Petr Nachtigall, Ph.D. - Publications

Affiliations: 
Charles University, Prague, Czechia 

166 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Cao Z, Xu Y, Lyu P, Dierks M, Morales-García Á, Schrader W, Nachtigall P, Schüth F. Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure. Chemsuschem. PMID 33174387 DOI: 10.1002/cssc.202002248  1
2020 Heard CJ, Grajciar L, Uhlík F, Shamzhy M, Opanasenko M, Čejka J, Nachtigall P. Zeolite (In)Stability under Aqueous or Steaming Conditions. Advanced Materials (Deerfield Beach, Fla.). e2003264. PMID 32780912 DOI: 10.1002/Adma.202003264  1
2020 Cejka J, Opanasenko M, Shamzhy M, Wang Y, Yan W, Nachtigall P. Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites. Angewandte Chemie (International Ed. in English). PMID 32510709 DOI: 10.1002/anie.202005776  0.01
2020 Hou D, Grajciar L, Nachtigall P, Heard CJ. Origin of the Unusual Stability of Zeolite-Encapsulated Sub-Nanometre Platinum Acs Catalysis. 11057-11068. DOI: 10.1021/Acscatal.0C01344  1
2020 Lyu P, Nachtigall P. Systematic computational investigation of an Ni3Fe catalyst for the OER Catalysis Today. 345: 220-226. DOI: 10.1016/J.Cattod.2019.09.049  1
2020 He J, Lyu P, Nachtigall P. Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting Catalysis Today. 340: 178-182. DOI: 10.1016/J.Cattod.2018.10.012  1
2020 Opanasenko M, Shamzhy M, Wang Y, Yan W, Nachtigall P, Čejka J. Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites. Angewandte Chemie. DOI: 10.1002/Ange.202005776  1
2019 Li S, He J, Nachtigall P, Grajciar L, Brivio F. Control of spintronic and electronic properties of bimetallic and vacancy-ordered vanadium carbide MXenes via surface functionalization. Physical Chemistry Chemical Physics : Pccp. PMID 31728461 DOI: 10.1039/C9Cp05638F  1
2019 Heard CJ, Grajciar L, Rice CM, Pugh SM, Nachtigall P, Ashbrook SE, Morris RE. Fast room temperature lability of aluminosilicate zeolites. Nature Communications. 10: 4690. PMID 31619677 DOI: 10.1038/S41467-019-12752-Y  1
2019 Kulkarni R, Noda Y, Kumar Barange D, Kochergin YS, Lyu P, Balcarova B, Nachtigall P, Bojdys MJ. Real-time optical and electronic sensing with a β-amino enone linked, triazine-containing 2D covalent organic framework. Nature Communications. 10: 3228. PMID 31324876 DOI: 10.5281/Zenodo.3249392  1
2019 Ertl M, Ma Z, Thersleff T, Lyu P, Huettner S, Nachtigall P, Breu J, Slabon A. Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO Photoanodes. Inorganic Chemistry. PMID 31310522 DOI: 10.1021/Acs.Inorgchem.9B00327  1
2019 Heard CJ, Grajciar L, Nachtigall P. The effect of water on the validity of Löwenstein's rule. Chemical Science. 10: 5705-5711. PMID 31293755 DOI: 10.1039/C9Sc00725C  1
2019 H. Mohideen MI, Lei C, Tuček J, Malina O, Brivio F, Kasneryk V, Huang Z, Mazur M, Zou X, Nachtigall P, Čejka J, Morris RE. Magneto-structural correlations of novel kagomé-type metal organic frameworks Journal of Materials Chemistry C. 7: 6692-6697. DOI: 10.1039/C9Tc01053J  0.01
2019 Lyu P, Ertl M, Heard CJ, Grajciar L, Radha AV, Martin T, Breu J, Nachtigall P. Structure Determination of the Oxygen Evolution Catalyst Mössbauerite Journal of Physical Chemistry C. 123: 25157-25165. DOI: 10.1021/Acs.Jpcc.9B06061  1
2019 Thang HV, Vaculík J, Přech J, Kubů M, Čejka J, Nachtigall P, Bulánek R, Grajciar L. The Brønsted acidity of three- and two-dimensional zeolites Microporous and Mesoporous Materials. 282: 121-132. DOI: 10.1016/J.Micromeso.2019.03.033  1
2018 Čejka J, Nachtigall P, Centi G. New catalytic materials for energy and chemistry in transition. Chemical Society Reviews. 47: 8066-8071. PMID 30387489 DOI: 10.1039/C8Cs90119H  1
2018 Schwarz D, Acharjya A, Ichangi A, Kochergin YS, Lyu P, Opanasenko MV, Tarábek J, Vacek Chocholoušová J, Vacek J, Schmidt J, Nachtigall P, Thomas A, Bojdys MJ. Tuning the porosity and photocatalytic performance of triazine-based graphdiyene polymers via polymorphism. Chemsuschem. PMID 30335905 DOI: 10.1002/Cssc.201802034  1
2018 Grajciar L, Heard CJ, Bondarenko AA, Polynski MV, Meeprasert J, Pidko EA, Nachtigall P. Towards operando computational modeling in heterogeneous catalysis. Chemical Society Reviews. PMID 30204184 DOI: 10.1039/C8Cs00398J  1
2018 Heard CJ, Čejka J, Opanasenko M, Nachtigall P, Centi G, Perathoner S. 2D Oxide Nanomaterials to Address the Energy Transition and Catalysis. Advanced Materials (Deerfield Beach, Fla.). e1801712. PMID 30132995 DOI: 10.1002/Adma.201801712  1
2018 Schwarz D, Acharjya A, Ichangi A, Lyu P, Opanasenko MV, Goßler FR, König TF, Čejka J, Nachtigall P, Thomas A, Bojdys MJ. Fluorescent sulphur and nitrogen containing porous polymers with tuneable donor-acceptor domains for light-driven hydrogen evolution. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30024068 DOI: 10.1002/Chem.201802902  1
2018 Liu J, Yang Y, Lyu P, Nachtigall P, Xu Y. Few-Layer Silicene Nanosheets with Superior Lithium-Storage Properties. Advanced Materials (Deerfield Beach, Fla.). e1800838. PMID 29733539 DOI: 10.1002/Adma.201800838  1
2018 Liu J, Lyu P, Zhang Y, Nachtigall P, Xu Y. New Layered Triazine Framework/Exfoliated 2D Polymer with Superior Sodium-Storage Properties. Advanced Materials (Deerfield Beach, Fla.). PMID 29359817 DOI: 10.1002/Adma.201705401  1
2018 Mazur M, Arévalo-López A, Wheatley PS, Bignami GPM, Ashbrook SE, Morales-García Á, Nachtigall P, Attfield JP, Čejka J, Morris RE. Pressure-induced chemistry for the 2D to 3D transformation of zeolites Journal of Materials Chemistry A. 6: 5255-5259. DOI: 10.1039/C7Ta09248B  0.01
2018 Rubeš M, Trachta M, Koudelková E, Bulánek R, Klimeš J, Nachtigall P, Bludský O. Temperature Dependence of Carbon Monoxide Adsorption on a High-Silica H-FER Zeolite Journal of Physical Chemistry C. 122: 26088-26095. DOI: 10.1021/Acs.Jpcc.8B08935  1
2017 Schwarz D, Noda Y, Klouda J, Schwarzová-Pecková K, Tarábek J, Rybáček J, Janoušek J, Simon F, Opanasenko MV, Čejka J, Acharjya A, Schmidt J, Selve S, Reiter-Scherer V, Severin N, ... ... Nachtigall P, et al. Twinned Growth of Metal-Free, Triazine-Based Photocatalyst Films as Mixed-Dimensional (2D/3D) van der Waals Heterostructures. Advanced Materials (Deerfield Beach, Fla.). PMID 28859235 DOI: 10.1002/Adma.201703399  1
2017 Schwarz D, Kochergin YS, Acharja A, Ichangi A, Opanasenko MV, Čejka J, Lappan U, Arki P, He J, Schmidt J, Nachtigall P, Thomas A, Bojdys MJ. Tailored band gaps in sulphur and nitrogen containing porous donor-acceptor polymers (SNPs). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28727178 DOI: 10.1002/Chem.201703332  1
2017 He J, Li X, Lyu P, Nachtigall P. Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer. Nanoscale. PMID 28124718 DOI: 10.1039/C6Nr08522A  1
2017 Čejka J, Nachtigall P. Manipulation with Zeolitic Layers Toward New Porous Materials Advanced Science Letters. 23: 5955-5957. DOI: 10.1166/Asl.2017.9079  1
2017 Lyu P, He J, Nachtigall P. Theoretical investigation of CO catalytic oxidation by a Fe–PtSe2 monolayer Rsc Advances. 7: 19630-19638. DOI: 10.1039/C6Ra27528A  1
2017 Firth DS, Morris SA, Wheatley PS, Russell SE, Slawin AMZ, Dawson DM, Mayoral A, Opanasenko M, Položij M, Čejka J, Nachtigall P, Morris RE. Assembly–Disassembly–Organization–Reassembly Synthesis of Zeolites Based on cfi-Type Layers Chemistry of Materials. 29: 5605-5611. DOI: 10.1021/Acs.Chemmater.7B01181  0.01
2017 Ho TV, Nachtigall P, Grajciar L. The Lewis acidity of three- and two-dimensional zeolites: The effect of framework topology Catalysis Today. 304: 12-21. DOI: 10.1016/J.Cattod.2017.06.025  1
2017 Morales-García Á, He J, Lyu P, Nachtigall P. Exploring the stability and reactivity of Ni 2 P and Mo 2 C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches Biomass Conversion and Biorefinery. 7: 377-383. DOI: 10.1007/S13399-017-0278-2  1
2017 Engelhardt J, Lyu P, Nachtigall P, Schüth F, García ÁM. The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study Chemcatchem. 9: 1985-1991. DOI: 10.1002/Cctc.201700181  1
2016 Palomino Cabello C, Gómez-Pozuelo G, Opanasenko M, Nachtigall P, Čejka J. Metal-Organic Frameworks M-MOF-74 and M-MIL-100: Comparison of Textural, Acidic, and Catalytic Properties. Chempluschem. 81: 828-835. PMID 31968824 DOI: 10.1002/Cplu.201600168  1
2016 Morris SA, Wheatley PS, Položij M, Nachtigall P, Eliášová P, Čejka J, Lucas TC, Hriljac JA, Pinar AB, Morris RE. Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P. Dalton Transactions (Cambridge, England : 2003). PMID 27527381 DOI: 10.1039/C6Dt02612E  1
2016 Thang HV, Frolich K, Shamzhy M, Eliášová P, Rubeš M, Čejka J, Bulánek R, Nachtigall P. The effect of the zeolite pore size on the Lewis acid strength of extra-framework cations. Physical Chemistry Chemical Physics : Pccp. 18: 18063-73. PMID 27326803 DOI: 10.1039/C6Cp03343A  1
2016 Mazur M, Wheatley PS, Navarro M, Roth WJ, Položij M, Mayoral A, Eliášová P, Nachtigall P, Čejka J, Morris RE. Synthesis of 'unfeasible' zeolites. Nature Chemistry. 8: 58-62. PMID 26673264 DOI: 10.1038/Nchem.2374  1
2016 He J, Lyu P, Nachtigall P. New two-dimensional Mn-based MXenes with room-temperature ferromagnetism and half-metallicity Journal of Materials Chemistry C. 4: 11143-11149. DOI: 10.1039/C6Tc03917K  1
2016 He J, Lyu P, Sun LZ, García ÁM, Nachtigall P. High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes Journal of Materials Chemistry C. 4: 6500-6509. DOI: 10.1039/C6Tc01287F  1
2016 He J, Ma S, Lyu P, Nachtigall P. Unusual Dirac half-metallicity with intrinsic ferromagnetism in vanadium trihalide monolayers Journal of Materials Chemistry C. 4: 2518-2526. DOI: 10.1039/C6Tc00409A  1
2016 He J, Morales-García Á, Bludský O, Nachtigall P. The surface stability and equilibrium crystal morphology of Ni2P nanoparticles and nanowires from an ab initio atomistic thermodynamic approach Crystengcomm. 18: 3808-3818. DOI: 10.1039/C6Ce00584E  1
2016 Keller TC, Položij M, Puértolas B, Thang HV, Nachtigall P, Pérez-Ramírez J. Understanding the Structure of Cationic Sites in Alkali Metal-Grafted USY Zeolites Journal of Physical Chemistry C. 120: 4954-4960. DOI: 10.1021/Acs.Jpcc.5B12413  1
2016 Rubeš M, He J, Nachtigall P, Bludský O. Direct hydrodeoxygenation of phenol over carbon-supported Ru catalysts: A computational study Journal of Molecular Catalysis a: Chemical. 423: 300-307. DOI: 10.1016/J.Molcata.2016.07.007  1
2016 Rubeš M, He J, Nachtigall P, Bludský O. Palladium clusters on graphene support: An ab initio study Chemical Physics Letters. 646: 56-63. DOI: 10.1016/J.Cplett.2015.12.065  1
2016 Morales-García Á, Rubeš M, Nachtigall P. The interaction of Pd clusters with the bulk and layered two-dimensional Silicalite-1 supports Catalysis Today. 277: 108-117. DOI: 10.1016/J.Cattod.2016.01.008  1
2015 Grajciar L, Nachtigall P, Bludský O, Rubeš M. Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs Journal of Chemical Theory and Computation. 11: 230-238. PMID 26574221 DOI: 10.1021/Ct500711Z  1
2015 Eliášová P, Opanasenko M, Wheatley PS, Shamzhy M, Mazur M, Nachtigall P, Roth WJ, Morris RE, ?ejka J. The ADOR mechanism for the synthesis of new zeolites. Chemical Society Reviews. PMID 25946705 DOI: 10.1039/C5Cs00045A  1
2015 Voorde BVd, Hezinová M, Lannoeye J, Vandekerkhove A, Marszalek B, Gil B, Beurroies I, Nachtigall P, Vos DD. Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation Physical Chemistry Chemical Physics. 17: 10759-10766. PMID 25811930 DOI: 10.1039/C5Cp01063B  1
2015 Reinsch H, Hinterholzinger FM, Jäker P, Hesse F, Reimer B, Bein T, Položij M, Nachtigallová D, Nachtigall P, Stock N. Unexpected Photoreactivity in a NO2-Functionalized Aluminum-MOF Journal of Physical Chemistry C. 119: 26401-26408. DOI: 10.1021/Acs.Jpcc.5B03138  1
2015 Trachta M, Nachtigall P, Bludský O. The ADOR synthesis of new zeolites: In silico investigation Catalysis Today. 243: 32-38. DOI: 10.1016/J.Cattod.2014.07.041  1
2015 Voleská I, Nachtigall P, Ivanova E, Hadjiivanov K, Bulánek R. Theoretical and experimental study of CO adsorption on Ca-FER zeolite Catalysis Today. 243: 53-61. DOI: 10.1016/J.Cattod.2014.07.029  1
2015 Zukal A, Opanasenko M, Rubeš M, Nachtigall P, Jagiello J. Adsorption of pentane isomers on metal-organic frameworks Cu-BTC and Fe-BTC Catalysis Today. 243: 69-75. DOI: 10.1016/J.Cattod.2014.07.003  1
2014 Trachta M, Bludský O, ?ejka J, Morris RE, Nachtigall P. From double-four-ring germanosilicates to new zeolites: in silico investigation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2972-6. PMID 25048804 DOI: 10.1002/Cphc.201402358  1
2014 ?ejka J, Morris RE, Nachtigall P, Roth WJ. Layered inorganic solids. Dalton Transactions (Cambridge, England : 2003). 43: 10274-5. PMID 24915576 DOI: 10.1039/C4Dt90078B  1
2014 Thang HV, Rubeš M, Bludský O, Nachtigall P. Computational investigation of the Lewis acidity in three-dimensional and corresponding two-dimensional zeolites: UTL vs IPC-1P. The Journal of Physical Chemistry. A. 118: 7526-34. PMID 24697515 DOI: 10.1021/Jp501089N  1
2014 Položij M, Thang HV, Rubeš M, Eliášová P, Čejka J, Nachtigall P. Theoretical investigation of layered zeolites with MWW topology: MCM-22P vs. MCM-56. Dalton Transactions (Cambridge, England : 2003). 43: 10443-50. PMID 24695861 DOI: 10.1039/C4Dt00414K  1
2014 Roth WJ, Nachtigall P, Morris RE, ?ejka J. Two-dimensional zeolites: current status and perspectives. Chemical Reviews. 114: 4807-37. PMID 24555638 DOI: 10.1021/Cr400600F  1
2014 Arean CO, Delgado MR, Nachtigall P, Thang HV, Rubeš M, Bulánek R, Chlubná-Eliášová P. Measuring the Brønsted acid strength of zeolites--does it correlate with the O-H frequency shift probed by a weak base? Physical Chemistry Chemical Physics : Pccp. 16: 10129-41. PMID 24549190 DOI: 10.1039/C3Cp54738H  1
2014 Thang HV, Grajciar L, Nachtigall P, Bludský O, Areán CO, Frýdová E, Bulánek R. Adsorption Of Co2 In Fau Zeolites: Effect Of Zeolite Composition Catalysis Today. 227: 50-56. DOI: 10.1016/J.Cattod.2013.10.036  1
2014 Hermann J, Trachta M, Nachtigall P, Bludský O. Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites Catalysis Today. 227: 2-8. DOI: 10.1016/J.Cattod.2013.09.016  1
2014 Položij M, Rubeš M, Čejka J, Nachtigall P. Catalysis by Dynamically Formed Defects in a Metal–Organic Framework Structure: Knoevenagel Reaction Catalyzed by Copper Benzene‐1,3,5‐tricarboxylate Chemcatchem. 6: 2821-2824. DOI: 10.1002/Cctc.201402411  1
2013 Roth WJ, Nachtigall P, Morris RE, Wheatley PS, Seymour VR, Ashbrook SE, Chlubná P, Grajciar L, Položij M, Zukal A, Shvets O, Cejka J. A family of zeolites with controlled pore size prepared using a top-down method. Nature Chemistry. 5: 628-33. PMID 23787755 DOI: 10.1038/Nchem.1662  1
2013 Pérez-Mayoral E, Matos I, Nachtigall P, Položij M, Fonseca I, Vitvarová-Procházková D, Čejka J. Intramolecular hydroalkoxylation of non-activated C=C bonds catalysed by zeolites: an experimental and theoretical study. Chemsuschem. 6: 1021-30. PMID 23703734 DOI: 10.1002/Cssc.201300173  1
2013 Opanasenko M, Dhakshinamoorthy A, Shamzhy M, Nachtigall P, Horáček M, Garcia H, Čejka J. Comparison of the catalytic activity of MOFs and zeolites in Knoevenagel condensation Catalysis Science & Technology. 3: 500-507. DOI: 10.1039/C2Cy20586F  1
2013 Rubeš M, Wiersum AD, Llewellyn PL, Grajciar L, Bludský O, Nachtigall P. Adsorption of Propane and Propylene on CuBTC Metal–Organic Framework: Combined Theoretical and Experimental Investigation Journal of Physical Chemistry C. 117: 11159-11167. DOI: 10.1021/Jp401600V  1
2013 Shvets OV, Nachtigall P, Roth WJ, Cejka J. UTL zeolite and the way beyond Microporous and Mesoporous Materials. 182: 229-238. DOI: 10.1016/J.Micromeso.2013.03.023  1
2013 Položij M, Pérez-Mayoral E, Čejka J, Hermann J, Nachtigall P. Theoretical investigation of the Friedländer reaction catalysed by CuBTC: Concerted effect of the adjacent Cu2+ sites Catalysis Today. 204: 101-107. DOI: 10.1016/J.Cattod.2012.08.025  1
2013 Grajciar L, Bludský O, Roth WJ, Nachtigall P. Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL Catalysis Today. 204: 15-21. DOI: 10.1016/J.Cattod.2012.07.018  1
2012 Grajciar L, Čejka J, Zukal A, Otero Areán C, Turnes Palomino G, Nachtigall P. Controlling the adsorption enthalpy of CO(2) in zeolites by framework topology and composition. Chemsuschem. 5: 2011-22. PMID 22887989 DOI: 10.1002/Cssc.201200270  1
2012 Pérez-Mayoral E, Musilová Z, Gil B, Marszalek B, Položij M, Nachtigall P, Čejka J. Synthesis of quinolines via Friedländer reaction catalyzed by CuBTC metal-organic-framework. Dalton Transactions (Cambridge, England : 2003). 41: 4036-44. PMID 22293862 DOI: 10.1039/C2Dt11978A  1
2012 Nachtigall P, Delgado MR, Nachtigallova D, Arean CO. The nature of cationic adsorption sites in alkaline zeolites--single, dual and multiple cation sites. Physical Chemistry Chemical Physics : Pccp. 14: 1552-69. PMID 22193344 DOI: 10.1039/C2Cp23237E  1
2012 Rubeš M, Grajciar L, Bludský O, Wiersum AD, Llewellyn PL, Nachtigall P. Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF Chemphyschem. 13: 488-495. PMID 22170696 DOI: 10.1002/Cphc.201100602  1
2012 Nachtigall P, Grajciar L, Pérez-Pariente J, Pinar AB, Zukal A, Čejka J. Control of CO2 adsorption heats by the Al distribution in FER zeolites. Physical Chemistry Chemical Physics : Pccp. 14: 1117-20. PMID 22134383 DOI: 10.1039/C1Cp22816A  1
2012 Nachtigall P, Delgado MR, Nachtigallova D, Arean CO. Reply to the ‘Comment on “The nature of cationic adsorption sites in alkaline zeolites—single, dual and multiple cation sites”' by O. Cairon, Phys. Chem. Chem. Phys., 2012, 14, DOI: 10.1039/c2cp40963a Physical Chemistry Chemical Physics. 14: 10353-10354. DOI: 10.1039/C2Cp41571B  1
2012 Nachtigall P. Adsorption of CO2 in Zeolites: Controlling the Interaction Energy by Zeolite Topology and Composition Chemie Ingenieur Technik. 84: 1428-1428. DOI: 10.1002/Cite.201250569  0.01
2011 Kysilka J, Rubeš M, Grajciar L, Nachtigall P, Bludský O. Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes. Journal of Physical Chemistry A. 115: 11387-11393. PMID 21809813 DOI: 10.1021/Jp205330N  1
2011 Roth WJ, Shvets OV, Shamzhy M, Chlubná P, Kubů M, Nachtigall P, Čejka J. Postsynthesis transformation of three-dimensional framework into a lamellar zeolite with modifiable architecture. Journal of the American Chemical Society. 133: 6130-3. PMID 21456511 DOI: 10.1021/Ja200741R  1
2011 Areán CO, Delgado MR, Bibiloni GF, Bludský O, Nachtigall P. Variable-temperature IR spectroscopic and theoretical studies on CO2 adsorbed in zeolite K-FER. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 1435-43. PMID 21344603 DOI: 10.1002/Cphc.201000995  1
2011 Bludský O, Nachtigall P, Špirko V. Vibrational dynamics of adsorbed CO2: Separability of the CO2 asymmetric stretching mode Collection of Czechoslovak Chemical Communications. 76: 669-682. DOI: 10.1135/Cccc2011028  1
2011 Chen L, Grajciar L, Nachtigall P, Düren T. Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation Journal of Physical Chemistry C. 115: 23074-23080. DOI: 10.1021/Jp2090878  1
2011 Grajciar L, Wiersum AD, Llewellyn PL, Chang J, Nachtigall P. Understanding CO2 Adsorption in CuBTC MOF: Comparing Combined DFT–ab Initio Calculations with Microcalorimetry Experiments Journal of Physical Chemistry C. 115: 17925-17933. DOI: 10.1021/Jp206002D  1
2011 Bulanek R, Frolich K, Cicmanec P, Nachtigallova D, Pulido A, Nachtigall P. Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites Journal of Physical Chemistry C. 115: 13312-13321. DOI: 10.1021/Jp200293Y  1
2011 Zukal A, Arean CO, Delgado MR, Nachtigall P, Pulido A, Mayerová J, Čejka J. Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite Microporous and Mesoporous Materials. 146: 97-105. DOI: 10.1016/J.Micromeso.2011.03.034  1
2010 Zukal A, Pulido A, Gil B, Nachtigall P, Bludský O, Rubes M, Cejka J. Experimental and theoretical determination of adsorption heats of CO(2) over alkali metal exchanged ferrierites with different Si/Al ratio. Physical Chemistry Chemical Physics : Pccp. 12: 6413-22. PMID 20532422 DOI: 10.1039/C001950J  1
2010 Nachtigall P, Arean CO. Themed Issue on characterization of adsorbed species Physical Chemistry Chemical Physics. 12: 6307. PMID 20505880 DOI: 10.1039/C0Cp90026E  1
2010 Rubeš M, Kysilka J, Nachtigall P, Bludský O. DFT/CC investigation of physical adsorption on a graphite (0001) surface Physical Chemistry Chemical Physics. 12: 6438-6444. PMID 20428580 DOI: 10.1039/C001155J  1
2010 Grajciar L, Areán CO, Pulido A, Nachtigall P. Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER. Physical Chemistry Chemical Physics : Pccp. 12: 1497-506. PMID 20126762 DOI: 10.1039/B917969K  1
2010 Grajciar L, Bludský O, Nachtigall P. Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF Journal of Physical Chemistry Letters. 1: 3354-3359. DOI: 10.1021/Jz101378Z  1
2009 Nachtigall P, Bludský O, Grajciar L, Nachtigallová D, Delgado MR, Areán CO. Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite Physical Chemistry Chemical Physics. 11: 791-802. PMID 19290325 DOI: 10.1039/B812873A  1
2009 Pulido A, Nachtigall P, Rodríguez Delgado M, Otero Areán C. Computational and variable-temperature infrared spectroscopic studies on carbon monoxide adsorption on zeolite Ca-A. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 1058-65. PMID 19288483 DOI: 10.1002/Cphc.200800843  1
2009 Pulido A, Nachtigall P. Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process. Physical Chemistry Chemical Physics : Pccp. 11: 1447-58. PMID 19224046 DOI: 10.1039/B818116K  1
2009 Pulido A, Delgado MR, Bludský O, Rubeš M, Nachtigall P, Areán CO. Combined DFT/CC and IR spectroscopic studies on carbon dioxide adsorption on the zeolite H-FER Energy and Environmental Science. 2: 1187-1195. DOI: 10.1039/B911253G  1
2009 Bulánek R, Voleská I, Ivanova E, Hadjiivanov K, Nachtigall P. Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes Journal of Physical Chemistry C. 113: 11066-11076. DOI: 10.1021/Jp901575P  1
2009 Rubes M, Nachtigall P, Vondrasek J, Bludsky O. Structure and Stability of the Water−Graphite Complexes Journal of Physical Chemistry C. 113: 8412-8419. DOI: 10.1021/Jp901410M  1
2009 Pulido A, Nachtigall P, Zukal A, Domínguez I, Čejka J. Adsorption of CO2 on Sodium-Exchanged Ferrierites: The Bridged CO2 Complexes Formed between Two Extraframework Cations Journal of Physical Chemistry C. 113: 2928-2935. DOI: 10.1021/Jp810038B  1
2009 Areán CO, Palomino GT, Carayol MRL, Pulido A, Rubeš M, Bludský O, Nachtigall P. Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation Chemical Physics Letters. 477: 139-143. DOI: 10.1016/J.Cplett.2009.06.058  1
2009 Pulido A, Nachtigall P. Correlation Between Catalytic Activity and Metal Cation Coordination: NO Decomposition Over Cu/Zeolites Chemcatchem. 1: 449-453. DOI: 10.1002/Cctc.200900219  1
2008 Rubeš M, Bludský O, Nachtigall P. Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme. Chemphyschem. 9: 1702-1708. PMID 18651623 DOI: 10.1002/Cphc.200800274  1
2008 Nachtigallová D, Vrbka L, Bludský O, Nachtigall P. Interaction of acetonitrile with Na-zeolites: adsorption modes and vibrational dynamics in the zeolite channels and cavities. Physical Chemistry Chemical Physics. 10: 4189-4198. PMID 18612524 DOI: 10.1039/B803024C  1
2008 Bludský O, Rubes M, Soldán P, Nachtigall P. Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme. The Journal of Chemical Physics. 128: 114102. PMID 18361549 DOI: 10.1063/1.2890968  1
2008 Bludsk O, Rubes M, Soldan P, Nachtigall P. A Computationally Feasible DFT/CCSD(T) Correction Scheme for the Description of Weakly Interacting Systems The Open Chemical Physics Journal. 1: 1-11. DOI: 10.2174/1874412500801010001  1
2008 Arean CO, Delgado MR, Frolich K, Bulanek R, Pulido A, Bibiloni GF, Nachtigall P. Computational and Fourier Transform Infrared Spectroscopic Studies on Carbon Monoxide Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-Cation Sites Journal of Physical Chemistry C. 112: 4658-4666. DOI: 10.1021/Jp7109934  1
2008 Nachtigall P, Pulido A, Frolich K, Bulanek R. Evidence of heterogeneous dual cation sites in zeolites by combined IR and DFT investigation Studies in Surface Science and Catalysis. 174: 1005-1008. DOI: 10.1016/S0167-2991(08)80060-2  1
2008 Bulanek R, Nachtigall P, Cicmanec P. Combined TPD and theoretical investigation of CO desorption from Cu-K-FER zeolite Studies in Surface Science and Catalysis. 174: 893-896. DOI: 10.1016/S0167-2991(08)80032-8  1
2008 Bulánek R, Frolich K, Areán CO, Nachtigallová D, Nachtigall P. Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation Studies in Surface Science and Catalysis. 174: 869-872. DOI: 10.1016/S0167-2991(08)80026-2  1
2008 Přikryl J, Macháček V, Jansa P, Svobodová M, Růžička A, Nachtigall P, Černý M. Stable Triazenes Derived from 2-Alkylaminonaphthalenes and 5-Nitrobenzo[c]-1,2-thiazole-3-diazonium Hydrogensulfate European Journal of Organic Chemistry. 2008: 3272-3278. DOI: 10.1002/Ejoc.200800180  1
2007 Jansa P, Macháček V, Nachtigall P, Wsól V, Svobodová M. Coordination Compounds Based on 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic Acid Molecules. 12: 1064-1079. PMID 17873841 DOI: 10.3390/12051064  1
2007 Areán CO, Delgado MR, Bauçà CL, Vrbka L, Nachtigall P. Carbon monoxide adsorption on low-silica zeolites—from single to dual and to multiple cation sites Physical Chemistry Chemical Physics. 9: 4657-4661. PMID 17700867 DOI: 10.1039/B709073K  1
2007 Areán CO, Nachtigallová D, Nachtigall P, Garrone E, Delgado MR. Thermodynamics of reversible gas adsorption on alkali-metal exchanged zeolites—the interplay of infrared spectroscopy and theoretical calculations Physical Chemistry Chemical Physics. 9: 1421-1437. PMID 17356750 DOI: 10.1039/B615535A  1
2007 Nachtigall P, Frolich K, Drobná H, Bludský O, Nachtigallová aD, Bulánek R. FTIR Study of CO Interactions with Li+ Ions in Micro- and Mesoporous Matrices: Coordination and Localization of Li+ Ions Journal of Physical Chemistry C. 111: 11353-11362. DOI: 10.1021/Jp0716785  1
2007 Nachtigall P, Sauer J. Chapter 20 Applications of quantum chemical methods in zeolite science Studies in Surface Science and Catalysis. 168: 701-736. DOI: 10.1016/S0167-2991(07)80808-1  0.08
2007 Nachtigall P, Delgado MR, Frolich K, Bulánek R, Palomino GT, Bauçà CL, Areán CO. Periodic density functional and FTIR spectroscopic studies on CO adsorption on the zeolite Na-FER Microporous and Mesoporous Materials. 106: 162-173. DOI: 10.1016/J.Micromeso.2007.02.049  1
2006 Bulánek R, Drobná H, Nachtigall P, Rubeš M, Bludský O. On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study. Physical Chemistry Chemical Physics. 8: 5535-5542. PMID 17136268 DOI: 10.1039/B613805E  1
2006 Garrone E, Bulanek R, Frolich K, Arean CO, Delgado MR, Palomino GT, Nachtigallova D, Nachtigall P. Single and Dual Cation Sites in Zeolites: Theoretical Calculations and FTIR Spectroscopic Studies on CO Adsorption on K-FER Journal of Physical Chemistry B. 110: 22542-22550. PMID 17091999 DOI: 10.1021/Jp0631331  1
2006 Nachtigallová D, Bludský O, Areán CO, Bulánek R, Nachtigall P. The vibrational dynamics of carbon monoxide in a confined space—CO in zeolites Physical Chemistry Chemical Physics. 8: 4849-4852. PMID 17066173 DOI: 10.1039/B612238H  1
2006 Nachtigall P, Garrone E, Palomino GT, Delgado MR, Nachtigallová D, Areán CO. FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER. Physical Chemistry Chemical Physics. 8: 2286-2292. PMID 16688311 DOI: 10.1039/B602362B  1
2006 Arean CO, Palomino GT, Garrone E, Nachtigallova D, Nachtigall P. Combined Theoretical and FTIR Spectroscopic Studies on Hydrogen Adsorption on the Zeolites Na−FER and K−FER Journal of Physical Chemistry B. 110: 395-402. PMID 16471548 DOI: 10.1021/Jp055190K  1
2006 Nachtigall P, Bulánek R. Theoretical investigation of site-specific characteristics of CO adsorption complexes in the Li+-FER zeolite Applied Catalysis a-General. 307: 118-127. DOI: 10.1016/J.Apcata.2006.03.020  1
2005 Bludský O, Silhan M, Nachtigall P, Bucko T, Benco L, Hafner J. Theoretical Investigation of CO Interaction with Copper Sites in Zeolites: Periodic DFT and Hybrid Quantum Mechanical/Interatomic Potential Function Study Journal of Physical Chemistry B. 109: 9631-9638. PMID 16852159 DOI: 10.1021/Jp0506538  1
2005 Nachtigall P, Bludský O, Nachtigallová D, Čičmanec P, Drobná H, Bulánek R. Characterization of Cu+ sites in FER: Combined computational and experimental TPD study Studies in Surface Science and Catalysis. 158: 925-932. DOI: 10.1016/S0167-2991(05)80431-8  1
2005 Kučera J, Nachtigall P. 27Al NMR chemical shifts do not correlate with average T-O-T angles: Theoretical study of MCM-58 zeolite Studies in Surface Science and Catalysis. 158: 917-924. DOI: 10.1016/S0167-2991(05)80430-6  1
2005 Bludský O, Nachtigallová D, Bulánek R, Nachtigall P. Combined theoretical and experimental study of the site-specificity of vibrational dynamics of CO adsorbed on monovalent metal cations in zeolites Studies in Surface Science and Catalysis. 158: 625-632. DOI: 10.1016/S0167-2991(05)80393-3  1
2005 Nachtigall P. Applications of quantum chemical methods in zeolite science Studies in Surface Science and Catalysis. 157: 243-262. DOI: 10.1016/S0167-2991(05)80014-X  0.01
2005 Kučera J, Nachtigall P. A simple correlation between average T–O–T angles and 27Al NMR chemical shifts does not hold in high-silica zeolites Microporous and Mesoporous Materials. 85: 279-283. DOI: 10.1016/J.Micromeso.2005.06.028  1
2005 Bludský O, Nachtigall P, Čičmanec P, Knotek P, Bulánek R. Characterization of the Cu+ sites in MFI zeolites: combined computational and experimental study Catalysis Today. 100: 385-389. DOI: 10.1016/J.Cattod.2004.09.070  1
2004 Nachtigallová D, Nachtigall P, Bludský O. Calculations of the site specific stretching frequencies of CO adsorbed on Li+/ZSM-5 Physical Chemistry Chemical Physics. 6: 5580-5587. DOI: 10.1039/B414296A  1
2004 Bulánek R, Čičmanec P, Knotek P, Nachtigallová D, Nachtigall P. Localization of Cu+ sites and framework Al positions in high-silica zeolites: Combined experimental and theoretical study Physical Chemistry Chemical Physics. 6: 2003-2007. DOI: 10.1039/B402950J  1
2004 and JK, Nachtigall P, Kotrla J, Košová aG, Čejka J. Pyrrole as a Probe Molecule for Characterization of Basic Sites in ZSM-5: A Combined FTIR Spectroscopy and Computational Study Journal of Physical Chemistry B. 108: 16012-16022. DOI: 10.1021/Jp048768J  1
2004 Davidová M, Nachtigallová D, Nachtigall P, Sauer J. Nature of the Cu+−NO Bond in the Gas Phase and at Different Types of Cu+Sites in Zeolite Catalysts The Journal of Physical Chemistry B. 108: 13674-13682. DOI: 10.1021/Jp0478007  0.01
2004 Honzı́ček J, Nachtigall P, Cı́sařová I, Vinklárek J. Synthesis, characterization and structural investigation of the first vanadocene(IV) carboxylic acid complexes prepared from the vanadocene dichloride Journal of Organometallic Chemistry. 689: 1180-1187. DOI: 10.1016/J.Jorganchem.2003.11.042  1
2004 Honzíček J, Vinklárek J, Nachtigall P. A density functional study of EPR hyperfine coupling of vanadocene(IV) complexes Chemical Physics. 305: 291-298. DOI: 10.1016/J.Chemphys.2004.07.005  1
2003 Kučera J, Nachtigall P. Theoretical study of pyrrole interaction with alkali metal exchanged zeolites: Investigation of the reliability of cluster and periodic models Collection of Czechoslovak Chemical Communications. 68: 1848-1860. DOI: 10.1135/Cccc20031848  1
2003 Kučera J, Nachtigall P. Coordination of alkali metal ions in ZSM-5: A combined quantum mechanics/interatomic potential function study Physical Chemistry Chemical Physics. 5: 3311-3317. DOI: 10.1039/B304332K  1
2003 Bludský O, Šilhan M, Nachtigallová D, Nachtigall P. Calculations of Site-Specific CO Stretching Frequencies for Copper Carbonyls with the ``Near Spectroscopic Accuracy'': CO Interaction with Cu+/MFI Journal of Physical Chemistry A. 107: 10381-10388. DOI: 10.1021/Jp036504B  1
2003 Davidová M, Nachtigallová D, Bulánek aR, Nachtigall P. Characterization of the Cu+ sites in high-silica zeolites interacting with the CO molecule: Combined computational and experimental study Journal of Physical Chemistry B. 107: 2327-2332. DOI: 10.1021/Jp026989O  1
2003 Šilhan M, Nachtigall P, Bludský O. Theoretical investigation of the vibrational dynamics of Ag+CO solvated in the Ne matrix Chemical Physics Letters. 375: 54-58. DOI: 10.1016/S0009-2614(03)00807-8  1
2002 Spuhler P, Holthausen MC, Nachtigallová D, Nachtigall P, Sauer J. On the existence of CuI pairs in ZSM-5--a computational study. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 2099-115. PMID 11981895 DOI: 10.1002/1521-3765(20020503)8:9<2099::Aid-Chem2099>3.0.Co;2-D  0.01
2002 Bludský O, Šilhan M, Nachtigall P. Theoretical investigation of the effect of the rare gas matrices on the vibrational spectra of solvated molecular ions: Cu+CO Journal of Chemical Physics. 117: 9298-9305. DOI: 10.1063/1.1515316  1
2002 Nachtigall P, Davidová M, Šilhan M, Nachtigallová D. Interaction of small molecules with transition metal ions in zeolites: The effect of the local environment Studies in Surface Science and Catalysis. 142: 101-108. DOI: 10.1016/S0167-2991(02)80017-9  1
2001 Žďánska P, Nachtigallová D, Nachtigall P, Jungwirth P. Nonadiabatic interactions between the ground and low-lying excited electronic states: Vibronic states of the Cl–HCl complex The Journal of Chemical Physics. 115: 5974-5983. DOI: 10.1063/1.1391263  0.01
2001 Jurečka P, Nachtigall P, Hobza P. RI-MP2 calculations with extended basis sets—a promising tool for study of H-bonded and stacked DNA base pairs Physical Chemistry Chemical Physics. 3: 4578-4582. DOI: 10.1039/B105892B  0.01
2001 Šilhan M, Nachtigallová D, Nachtigall P. Characterization of Ag+ sites in ZSM-5: A combined quantum mechanics/interatomic potential function study Physical Chemistry Chemical Physics. 3: 4791-4795. DOI: 10.1039/B105202K  1
2001 Nachtigallová D, Nachtigall P, Sauer J. Coordination of Cu+ and Cu2+ ions in ZSM-5 in the vicinity of two framework Al atoms Physical Chemistry Chemical Physics. 3: 1552-1559. DOI: 10.1039/B100712M  0.01
2001 Steckel JA, Phung T, Jordan KD, Nachtigall P. Concerted Use of Slab and Cluster Models in an ab Initio Study of Hydrogen Desorption from the Si(100) Surface Journal of Physical Chemistry B. 105: 4031-4038. DOI: 10.1021/Jp0035176  1
2001 Nachtigall P, Davidová aM, Nachtigallová D. Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra Journal of Physical Chemistry B. 105: 3510-3517. DOI: 10.1021/Jp002679Z  1
2001 Nachtigall P, Davidová M, Šilhan M, Nachtigallová D. 14-O-03-Theoretical interpretation of UV-VIS spectra of Cu-and Ag-species in zeolites: structure vs. transition energies Studies in Surface Science and Catalysis. 135: 177. DOI: 10.1016/S0167-2991(01)81326-4  1
2000 Xie D, Guo H, Bludský O, Nachtigall P. Absorption and resonance emission spectra of SO2(X̃1A1/C̃1B2) calculated from ab initio potential energy and transition dipole moment surfaces Chemical Physics Letters. 329: 503-510. DOI: 10.1016/S0009-2614(00)01049-6  0.01
2000 Bludský O, Nachtigall P, Hrušák J, Jensen P. The calculation of the vibrational states of SO2 in the C̃1B2 electronic state up to the SO(3Σ−)+O(3P) dissociation limit Chemical Physics Letters. 318: 607-613. DOI: 10.1016/S0009-2614(00)00015-4  1
1999 Pittner J, Nachtigall P, Čársky P, Mášik J, Hubač I. Assessment of the single-root multireference Brillouin–Wigner coupled- cluster method: Test calculations on CH2, SiH2, and twisted ethylene Journal of Chemical Physics. 110: 10275-10282. DOI: 10.1063/1.478961  0.01
1999 Nachtigallová D, Nachtigall P, Sierka M, Sauer J. Coordination and siting of Cu+ ions in ZSM-5: A combined quantum mechanics/interatomic potential function study Physical Chemistry Chemical Physics. 1: 2019-2026. DOI: 10.1039/A900214F  0.01
1999 Nachtigall P, Hrušák J, Bludský O, Iwata S. Investigation of the potential energy surfaces for the ground X̃1A1 and excited C̃1B2 electronic states of SO2 Chemical Physics Letters. 303: 441-446. DOI: 10.1016/S0009-2614(99)00240-7  1
1998 Nachtigallová D, Slavíček P, Nachtigall P, Jungwirth P. Water Photolysis in Rare Gas Environment: The CASPT2 Excited State H2O(A)-Ar Potential Collection of Czechoslovak Chemical Communications. 63: 1321-1328. DOI: 10.1135/Cccc19981321  0.01
1998 Nachtigallová D, Davidová M, Nachtigall P. Reliability of DFT Methods for Description of Cu Sites and Their Interaction with NO in Zeolites Collection of Czechoslovak Chemical Communications. 63: 1202-1212. DOI: 10.1135/Cccc19981202  1
1998 Borowski P, Jordan KD, Nichols J, Nachtigall P. Investigation of a hybrid TCSCF-DFT procedure Theoretical Chemistry Accounts. 99: 135-140. DOI: 10.1007/S002140050315  1
1996 Nachtigall P, Jordan KD, Smith A, Jónsson H. Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes The Journal of Chemical Physics. 104: 148-158. DOI: 10.1063/1.470885  0.01
1995 Smith AP, Wiggs JK, Jónsson H, Yan H, Corrales LR, Nachtigall P, Jordan KD. Si adatom binding and diffusion on the Si(100) surface: Comparison of ab initio, semiempirical and empirical potential results The Journal of Chemical Physics. 102: 1044-1056. DOI: 10.1063/1.469453  0.01
1995 Nachtigall P, Jordan KD. Barriers for hydrogen atom diffusion on the Si(100)-2x1 surface The Journal of Chemical Physics. 102: 8249-8254.  1
1994 Nachtigall P, Jordan KD, Sosa C. Theoretical study of the mechanism of recombinative hydrogen desorption from the monohydride phase of Si(100): The role of defect migration The Journal of Chemical Physics. 101: 8073-8081. DOI: 10.1063/1.468233  0.01
1993 Nachtigall P, Jordan KD. Theoretical study of the low-lying triplet and singlet states of tetramethyleneethane: prediction of a triplet below singlet state at the triplet equilibrium geometry Journal of the American Chemical Society. 115: 270-271. DOI: 10.1021/Ja00054A038  0.01
1993 Nachtigall P, Jordan KD, Sosa C. Ab initio calculation of the energy of recombinative hydrogen desorption from the monohydride phase of silicon (100) The Journal of Physical Chemistry. 97: 11666-11672. DOI: 10.1021/J100147A019  0.01
1992 Nachtigall P, Dowd P, Jordan KD. Theoretical study of the low-lying triplet and singlet states of diradicals. 2. Cyclopentadienyltrimethylenemethane Journal of the American Chemical Society. 114: 4747-4752. DOI: 10.1021/Ja00038A043  0.01
1992 Nachtigall P, Jordan KD. Theoretical study of the low-lying triplet and singlet states of diradicals. 1. Tetramethyleneethane Journal of the American Chemical Society. 114: 4743-4747. DOI: 10.1021/Ja00038A042  0.01
1991 Nachtigall P, Jordan KD, Janda KC. Calculation of the Si-H bond energies for the monohydride phase of Si(100) Journal of Chemical Physics. 95: 8652-8654. DOI: 10.1063/1.461245  1
1988 Pancíř J, Haslingerová I, Nachtigall P. Quantum chemical topological study of interaction of carbon monoxide on the Pd (112) surface Collection of Czechoslovak Chemical Communications. 53: 2064-2072. DOI: 10.1135/Cccc19882064  1
1987 Pancíř J, Haslingerová I, Nachtigall P. Topological study of the chemisorption behavior of carbon monoxide on the Ni(112) and Cu(112) surfaces Surface Science. 181: 413-435. DOI: 10.1016/0039-6028(87)90198-1  1
1986 Pancír̆ J, Haslingerová I, Nachtigall P, Jedlic̆ka M. Topological study of light sensitive photocathodes based on the Sb(NaKCs) system Applied Surface Science. 25: 167-178. DOI: 10.1016/0169-4332(86)90034-6  1
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