| Year |
Citation |
Score |
| 2022 |
Whitten JL. Correction of residual errors in configuration interaction electronic structure calculations. The Journal of Chemical Physics. 157: 124101. PMID 36182438 DOI: 10.1063/5.0098793 |
0.338 |
|
| 2020 |
Whitten JL. Estimates of electron correlation based on density expansions. The Journal of Chemical Physics. 153: 244103. PMID 33380085 DOI: 10.1063/5.0031279 |
0.313 |
|
| 2019 |
Whitten JL. Prediction of many-electron wavefunctions using atomic potentials: extended basis sets and molecular dissociation. Physical Chemistry Chemical Physics : Pccp. 21: 21541-21548. PMID 31536092 DOI: 10.1039/c9cp02450f |
0.383 |
|
| 2019 |
Whitten JL. Prediction of many-electron wavefunctions using atomic potentials: Refinements and extensions to transition metals and large systems. Journal of Chemical Physics. 150: 34107. PMID 30660149 DOI: 10.1063/1.5064781 |
0.442 |
|
| 2019 |
Whitten JL. Prediction of many-electron wavefunctions using atomic potentials: extended basis sets and molecular dissociation Physical Chemistry Chemical Physics. 21: 21541-21548. DOI: 10.1039/C9Cp02450F |
0.477 |
|
| 2017 |
Nazari F, Whitten JL. Prediction of many-electron wavefunctions using atomic potentials Journal of Chemical Physics. 146: 194109-194109. PMID 28527434 DOI: 10.1063/1.4983395 |
0.44 |
|
| 2017 |
Whitten JL. Electron correlation by polarization of interacting densities Journal of Chemical Physics. 146: 64113. PMID 28201908 DOI: 10.1063/1.4975329 |
0.361 |
|
| 2016 |
Papas BN, Whitten JL. Adsorption of copper on a γ-alumina support Surface Science. 651: 22-27. DOI: 10.1016/J.Susc.2016.03.019 |
0.394 |
|
| 2015 |
Petsalakis ID, Theodorakopoulos G, Whitten J. Electronic structure and spectra of (Cu2O)n–H2O complexes Physical Chemistry Chemical Physics. 17: 428-433. PMID 25407888 DOI: 10.1039/C4Cp04303K |
0.405 |
|
| 2014 |
Papas BN, Petsalakis ID, Theodorakopoulos G, Whitten JL. CI and DFT Studies of the Adsorption of the Nerve Agent Sarin on Surfaces Journal of Physical Chemistry C. 118: 23042-23048. DOI: 10.1021/Jp505258K |
0.428 |
|
| 2013 |
Papas BN, Whitten JL. Excitonic states in a (Ti6O12)3 nanotube Journal of Chemical Physics. 138: 54312-54312. PMID 23406124 DOI: 10.1063/1.4789815 |
0.42 |
|
| 2013 |
Lamb HH, Sremaniak L, Whitten JL. Reaction pathways for butanoic acid decarboxylation on the (111) surface of a Pd nanoparticle Surface Science. 607: 130-137. DOI: 10.1016/J.Susc.2012.08.023 |
0.386 |
|
| 2013 |
Lucovsky G, Kim J, Wu K, Zeller D, Papas B, Whitten JL. Non-crystalline SiO2: Processing induced pre-Existing defects associated with vacated O-atom intrinsic bonding sites Physics Procedia. 44: 99-107. DOI: 10.1016/J.Phpro.2013.04.013 |
0.383 |
|
| 2013 |
Lucovsky G, Parsons G, Zeller D, Wu K, Papas B, Whitten J, Lujan R, Street RA. Spectroscopic detection of medium range order in hydrogenated amorphous silicon, a-Si(H): Applications in photovolatics, thin film transistors and Si-based microelectronics Physics Procedia. 44: 91-98. DOI: 10.1016/J.Phpro.2013.04.012 |
0.385 |
|
| 2012 |
Lucovsky G, Zeller D, Wu K, Papas B, Whitten JL. Intrinsic bonding Defects in Non-crystalline (nc-) SiO2 and GeO2: Spectroscopic Detection of Differences between Vacancy Sites with and without O-atom occupancy The Japan Society of Applied Physics. DOI: 10.7567/Ssdm.2012.I-2-6 |
0.39 |
|
| 2011 |
Papas BN, Whitten JL. Silver as an electron source for photodissociation of hydronium Journal of Chemical Physics. 135: 204701-204701. PMID 22128946 DOI: 10.1063/1.3659702 |
0.443 |
|
| 2011 |
Tsuchiya T, Whitten JL. Configuration interaction study of the ground and excited states of TiO2 ring structures. The Journal of Chemical Physics. 134: 114701. PMID 21428650 DOI: 10.1063/1.3564880 |
0.388 |
|
| 2011 |
Seo H, Baker LR, Hervier A, Kim J, Whitten JL, Somorjai GA. Generation of highly n-type titanium oxide using plasma fluorine insertion. Nano Letters. 11: 751-6. PMID 21175210 DOI: 10.1021/Nl1039378 |
0.322 |
|
| 2011 |
Lucovsky G, Kim J, Wu K, Zeller D, Papas B, Whitten JL. Processing Induced Pre-Existing Vacated (Empty) O-atom Defect Sites in Remote Plasma Deposited GeO 2 and SiO 2 Gate Dielectrics The Japan Society of Applied Physics. DOI: 10.7567/Ssdm.2011.M-2-3 |
0.321 |
|
| 2011 |
Tsuchiya T, Whitten JL. Theoretical Study of the Molecular and Electronic Structures of TiO4H4, Ti2O7H6, and Ti2O6H4 Journal of Physical Chemistry C. 115: 1635-1642. DOI: 10.1021/Jp109393X |
0.448 |
|
| 2011 |
Lucovsky G, Zeller D, Whitten JL. O-vacancies in transition metal (TM) oxides: Coordination and local site symmetry of transition and negative ion states in TM2O3 and TMO2 oxides Microelectronic Engineering. 88: 1471-1474. DOI: 10.1016/J.Mee.2011.03.153 |
0.422 |
|
| 2011 |
Lucovsky G, Zeller D, Wu K, Whitten JL. Remote plasma-deposited GeO2 with quartz-like Ge- and O-local bonding: Band-edge state and O-vacancy comparisons with SiO2 Microelectronic Engineering. 88: 1537-1540. DOI: 10.1016/J.Mee.2011.03.152 |
0.397 |
|
| 2010 |
Papas BN, Whitten JL. Dissociation of water on a palladium nanoparticle International Journal of Quantum Chemistry. 110: 3072-3079. DOI: 10.1002/Qua.22909 |
0.413 |
|
| 2009 |
Zhang Y, Whitten JL. Photoinduced dissociation of water adsorbed on a Ag cluster Journal of Molecular Structure-Theochem. 903: 28-33. DOI: 10.1016/J.Theochem.2008.12.050 |
0.473 |
|
| 2009 |
Zhang Y, Whitten JL. Photoemission into water adsorbed on metals: Probing dissociative electron transfer using theory International Journal of Quantum Chemistry. 109: 3541-3551. DOI: 10.1002/Qua.22345 |
0.478 |
|
| 2008 |
Zhang Y, Whitten JL. Photoinduced dissociation of water and transport of hydrogen between silver clusters. The Journal of Physical Chemistry. A. 112: 6358-63. PMID 18578467 DOI: 10.1021/Jp800528J |
0.432 |
|
| 2008 |
Lee S, Long JP, Lucovsky G, Whitten JL, Seo H, Lüning J. Suppression of Ge-O and Ge-N bonding at Ge-HfO2 and Ge-TiO2 interfaces by deposition onto plasma-nitrided passivated Ge substrates: Integration issues Ge gate stacks into advanced devices Microelectronics Reliability. 48: 364-369. DOI: 10.1016/J.Microrel.2007.07.068 |
0.341 |
|
| 2007 |
Kokh DB, Buenker RJ, Liebermann H, Whitten JL. Theoretical Study of the Photoinduced C−H Bond Cleavage in Formaldehyde Adsorbed on the Ag(111) Surface The Journal of Physical Chemistry C. 111: 9914-9918. DOI: 10.1021/Jp071334E |
0.442 |
|
| 2007 |
Sremaniak LS, Whitten JL. Theoretical treatment of excited electronic states of adsorbates on metals: Electron attachment to CO2 adsorbed on Pt(111) Surface Science. 601: 3755-3759. DOI: 10.1016/J.Susc.2007.04.118 |
0.458 |
|
| 2007 |
Lucovsky G, Whitten JL. Metal gate electrodes: Theoretical studies of Zr/ZrO2 and Hf/HfO2 interfaces Surface Science. 601: 4138-4143. DOI: 10.1016/J.Susc.2007.04.057 |
0.401 |
|
| 2007 |
Lucovsky G, Whitten JL. Metal gate electrodes for devices with high-k gate dielectrics: Zr/ZrO2 and Hf/HfO2 intrinsic interfacial transition regions Microelectronic Engineering. 84: 2259-2262. DOI: 10.1016/J.Mee.2007.04.073 |
0.387 |
|
| 2006 |
Sremaniak LS, Whitten JL, Truitt MJ, White JL. Weak hydrogen bonding can initiate alkane C-H bond activation in acidic zeolites. The Journal of Physical Chemistry. B. 110: 20762-4. PMID 17048884 DOI: 10.1021/Jp0658703 |
0.411 |
|
| 2006 |
Qin C, Sremaniak LS, Whitten JL. CO adsorption on Ag(100) and Ag/MgO(100). The Journal of Physical Chemistry. B. 110: 11272-6. PMID 16771396 DOI: 10.1021/Jp0575207 |
0.349 |
|
| 2006 |
Kokh DB, Buenker RJ, Whitten JL. Trends in adsorption of open-shell atoms and small molecular fragments on the Ag(1 1 1) surface Surface Science. 600: 5104-5113. DOI: 10.1016/J.Susc.2006.08.032 |
0.496 |
|
| 2005 |
Kokh DB, Buenker RJ, Liebermann HP, Pichl L, Whitten JL. Theoretical study of the CH2 + O photodissociation of formaldehyde adsorbed on the Ag(111) surface. The Journal of Physical Chemistry. B. 109: 18070-80. PMID 16853321 DOI: 10.1021/Jp051728A |
0.459 |
|
| 2005 |
Qin C, Whitten JL. Adsorption of O, H, OH, and H2O on Ag(100). The Journal of Physical Chemistry. B. 109: 8852-6. PMID 16852052 DOI: 10.1021/Jp044067A |
0.38 |
|
| 2005 |
Lucovsky G, Zhang Y, Whitten JL, Schlom DG, Freeouf JL. Near edge x-ray absorption spectroscopy: A novel approach for determining conduction band edge states in transition metal oxide gate dielectrics Physica Scripta T. 335-338. DOI: 10.1238/Physica.Topical.115A00335 |
0.423 |
|
| 2005 |
Lucovsky G, Fulton CC, Zhang Y, Zou Y, Luning J, Edge LF, Whitten JL, Nemanich RJ, Ade H, Schlom DG, Afanase'v VV, Stesmans A, Zollner S, Triyoso D, Rogers BR. Conduction band-edge states associated with the removal of d-state degeneracies by the Jahn-Teller effect Ieee Transactions On Device and Materials Reliability. 5: 65-83. DOI: 10.1109/Tdmr.2005.845804 |
0.376 |
|
| 2005 |
Lucovsky G, Fulton CC, Zhang Y, Luning J, Edge L, Whitten JL, Nemanich RJ, Schlom DG, Afanase'V VV. Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings Thin Solid Films. 486: 129-135. DOI: 10.1016/J.Tsf.2004.11.233 |
0.416 |
|
| 2005 |
Qin C, Whitten JL. Interaction of S, SH and H2S with Ag(1 0 0) Surface Science. 588: 83-91. DOI: 10.1016/J.Susc.2005.05.031 |
0.399 |
|
| 2005 |
Lucovsky G, Zhang Y, Luning J, Afanase'v VV, Stesmans A, Zollner S, Triyoso D, Rogers BR, Whitten JL. Intrinsic band edge traps in nano-crystalline HfO2 gate dielectrics Microelectronic Engineering. 80: 110-113. DOI: 10.1016/J.Mee.2005.04.052 |
0.415 |
|
| 2005 |
Lucovsky G, Zhang Y, Fulton CC, Zou Y, Nemanich RJ, Ade H, Whitten JL. Final state effects in VUV and soft X-ray absorption spectra of transition metal oxides and silicate alloys: Comparisons between experiment and ab initio calculations Journal of Electron Spectroscopy and Related Phenomena. 144: 917-919. DOI: 10.1016/J.Elspec.2005.01.251 |
0.349 |
|
| 2005 |
Fulton CC, Lucovsky G, Zhang Y, Zou Y, Nemanich RJ, Ade H, Whitten JL. Studies of the coupling of final d*-states in mixed Hf and Ti oxides (HfO2)x(TiOx)1-x and other complex oxides Journal of Electron Spectroscopy and Related Phenomena. 144: 913-916. DOI: 10.1016/J.Elspec.2005.01.098 |
0.396 |
|
| 2004 |
Lucovsky G, Zhang Y, Whitten JL, Schlom DG, Freeouf JL. Spectroscopic studies of the electrical structure of transition metal and rare earth complex oxides Physica E: Low-Dimensional Systems and Nanostructures. 21: 712-716. DOI: 10.1016/J.Physe.2003.11.111 |
0.439 |
|
| 2004 |
Lucovsky G, Zhang Y, Whitten JL, Schlom DG, Freeouf JL. Separate and independent control of interfacial band alignments and dielectric constants in transition metal rare earth complex oxides Microelectronic Engineering. 72: 288-293. DOI: 10.1016/J.Mee.2004.01.006 |
0.431 |
|
| 2004 |
Mowrer T, Lucovsky G, Sremaniak LS, Whitten JL. Ab initio theory calculations of the electronic structure of nc-As 2S3 and GeS2: An intrinsic mechanism for reversible photo-darkening Journal of Non-Crystalline Solids. 338: 543-547. DOI: 10.1016/J.Jnoncrysol.2004.03.038 |
0.414 |
|
| 2004 |
Lucovsky G, Mowrer T, Sremaniak LS, Whitten JL. Local atomic structure and infrared effective charges in tetrahedrally-bonded glasses from ab initio theory electronic structure calculations Journal of Non-Crystalline Solids. 338: 155-158. DOI: 10.1016/J.Jnoncrysol.2004.02.043 |
0.466 |
|
| 2003 |
Buenker R, Liebermann H, Kokh D, Izgorodina E, Whitten J. Configuration interaction study of the excited states of CO adsorbed on a Pt97 cluster Chemical Physics. 291: 115-124. DOI: 10.1016/S0301-0104(03)00188-5 |
0.452 |
|
| 2003 |
Lucovsky G, Rayner B, Zhang Y, Appel G, Whitten J. Band offset energies in zirconium silicate Si alloys Applied Surface Science. 216: 215-222. DOI: 10.1016/S0169-4332(03)00429-X |
0.389 |
|
| 2003 |
Sremaniak LS, Whitten JL, Menon M, Lucovsky G. Contributions to the infrared effective charges of oxides and chalcogenides from equilibrium charge and dynamic charge redistribution during normal mode motions Applied Surface Science. 212: 839-843. DOI: 10.1016/S0169-4332(03)00087-4 |
0.401 |
|
| 2003 |
Lucovsky G, Rayner GB, Zhang Y, Fulton CC, Nemanich RJ, Appel G, Ade H, Whitten JL. Electronic structure of transition metal high-k dielectrics: Interfacial band offset energies for microelectronic devices Applied Surface Science. 212: 563-569. DOI: 10.1016/S0169-4332(03)00055-2 |
0.383 |
|
| 2003 |
Lucovsky G, Sremaniak LS, Mowrer T, Whitten JL. A new approach for calculating the electronic structure and vibrational properties of non-crystalline solids: Effective charges for infrared-active normal mode vibrations in oxide and chalcogenide materials Journal of Non-Crystalline Solids. 326: 1-14. DOI: 10.1016/S0022-3093(03)00369-7 |
0.46 |
|
| 2003 |
Whitten JL. Localized orbital interactions: d‐electron exchange and correlation International Journal of Quantum Chemistry. 95: 758-767. DOI: 10.1002/Qua.10608 |
0.366 |
|
| 2002 |
Buenker RJ, Whitten JL, Izgorodina EI, Liebermann HP, Kokh DB. Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems. Journal of Computational Chemistry. 23: 943-9. PMID 12116399 DOI: 10.1002/Jcc.10094 |
0.39 |
|
| 2002 |
Lucovsky G, Rayner B, Zhang Y, Appel G, Whitten J. Band Offset Energies in Zirconium Silicate Alloys The Japan Society of Applied Physics. DOI: 10.7567/Ssdm.2002.C-8-1 |
0.311 |
|
| 2002 |
Lucovsky G, Zhang Y, Rayner GB, Appel G, Ade H, Whitten JL. Electronic structure of high-k transition metal oxides and their silicate and aluminate alloys Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures. 20: 1739-1747. DOI: 10.1116/1.1493787 |
0.415 |
|
| 2002 |
Whitten JL, Zhang Y, Menon M, Lucovsky G. Electronic structure of SiO2: Charge redistribution contributions to the dynamic dipoles/effective charges of the infrared active normal modes Journal of Vacuum Science & Technology B. 20: 1710-1719. DOI: 10.1116/1.1490382 |
0.421 |
|
| 2002 |
Lucovsky G, Whitten JL, Zhang Y. A molecular orbital model for the electronic structure of transition metal atoms in silcate and aluminate alloys Applied Surface Science. 190: 48-55. DOI: 10.1016/S0169-4332(01)00835-2 |
0.46 |
|
| 2002 |
Sremaniak LS, Whitten JL. Photoinduced dissociation of methylnitrite on Ag(1 1 1) Surface Science. 516: 254-264. DOI: 10.1016/S0039-6028(02)02037-X |
0.449 |
|
| 2002 |
Lucovsky G, Whitten JL, Zhang Y. A molecular orbital model for the electronic structure of transition metal atoms in silicate and aluminate alloys Solid-State Electronics. 46: 1687-1697. DOI: 10.1016/S0038-1101(02)00160-0 |
0.475 |
|
| 2002 |
Whitten JL. Bounds on electrostatic interactions International Journal of Quantum Chemistry. 90: 177-182. DOI: 10.1002/Qua.986 |
0.352 |
|
| 2001 |
Lucovsky G, Rayner GB, Kang D, Appel G, Johnson RS, Zhang Y, Sayers DE, Ade H, Whitten JL. Electronic structure of noncrystalline transition metal silicate and aluminate alloys Applied Physics Letters. 79: 1775-1777. DOI: 10.1063/1.1404997 |
0.477 |
|
| 2001 |
Lucovsky G, Whitten JL, Zhang Y. A molecular orbital model for the electronic structure of transition metal atoms in silicate and aluminate alloys Microelectronic Engineering. 59: 329-334. DOI: 10.1016/S0167-9317(01)00653-0 |
0.488 |
|
| 1999 |
Yang H, Sanz JF, Wang Y, Whitten JL. Adsorption Energetics of NO and CO on Pt(111) Journal of Cluster Science. 10: 581-590. DOI: 10.1023/A:1021965310593 |
0.402 |
|
| 1998 |
Yang H, Whitten JL. Reaction and adsorption energetics of CN+O→OCN on nickel Journal of Molecular Structure-Theochem. 458: 131-142. DOI: 10.1016/S0166-1280(98)00356-X |
0.488 |
|
| 1998 |
Yang H, Whitten JL. Chemisorption of OCN on Ni(100) – an ab initio study Surface Science. 401: 312-321. DOI: 10.1016/S0039-6028(97)00905-9 |
0.488 |
|
| 1997 |
Yang H, Whitten JL. Energetics of adsorption and coadsorption of CN and O on Ni(100) Journal of Chemical Physics. 107: 8518-8524. DOI: 10.1063/1.475003 |
0.483 |
|
| 1997 |
Yang H, Whitten JL. Energetics of Hydroxyl and Influence of Coadsorbed Oxygen on Metal Surfaces Journal of Physical Chemistry B. 101: 4090-4096. DOI: 10.1021/Jp9702311 |
0.44 |
|
| 1997 |
Lucovsky G, Yang H, Jing Z, Whitten JL. Hydrogen atom participation in metastable defect formation at SiSiO2 interfaces Applied Surface Science. 192-197. DOI: 10.1016/S0169-4332(97)80077-3 |
0.397 |
|
| 1997 |
Yang H, Whitten JL, Huberty JS, Madix RJ. Coadsorption of CO and CH3O on Ni(100) Surface Science. 375: 268-280. DOI: 10.1016/S0039-6028(96)01283-6 |
0.48 |
|
| 1997 |
Yang H, Whitten JL. Adsorption of SH and OH and coadsorption of S, O and H on Ni(111) Surface Science. 370: 136-154. DOI: 10.1016/S0039-6028(96)00968-5 |
0.481 |
|
| 1996 |
Lucovsky G, Lee DR, Hattangady SV, Niimi H, Gandhi S, Parker C, Jing Z, Whitten JL, Hauser JR. Local atomic structure and electrical properties of nitrided Si-SiO2 interfaces produced by low-temperature plasma processing and rapid thermal annealing, and explained by ab-initio quantum chemistry calculations Applied Surface Science. 104: 335-341. DOI: 10.1016/S0169-4332(96)00167-5 |
0.381 |
|
| 1996 |
Yang H, Whitten JL. Chemisorption of CNH2 and HCNH on the Ni(111) surface Chemical Physics Letters. 251: 20-25. DOI: 10.1016/0009-2614(96)00065-6 |
0.452 |
|
| 1995 |
Yang H, Caves TC, Whitten JL. Ab initio studies of CN adsorbed on Ni(111) Journal of Chemical Physics. 103: 8756-8763. DOI: 10.1063/1.470132 |
0.458 |
|
| 1995 |
Jing Z, Whitten JL. Multiconfiguration self‐consistent‐field treatment of H2 desorption from Si(100)‐2×1H Journal of Chemical Physics. 102: 3867-3872. DOI: 10.1063/1.468546 |
0.424 |
|
| 1995 |
Cremaschi P, Yang H, Whitten JL. Ab initio chemisorption studies of H on Fe(110) Surface Science. 330: 255-264. DOI: 10.1016/0039-6028(95)00244-8 |
0.42 |
|
| 1995 |
Lucovsky G, Santos-Filho P, Lu Z, Jing Z, Whitten J. Bonding of oxygen and nitrogen atoms in hydrogenated amorphous silicon alloys Journal of Non-Crystalline Solids. 190: 169-179. DOI: 10.1016/0022-3093(95)00271-5 |
0.404 |
|
| 1995 |
Lucovsky G, Jing Z, Lu Z, Lee D, Whitten J. Properties of bonded hydrogen in hydrogenated amorphous silicon and other hydrogenated amorphous silicon alloys Journal of Non-Crystalline Solids. 182: 90-102. DOI: 10.1016/0022-3093(94)00578-8 |
0.42 |
|
| 1995 |
Whitten JL, Yang H. Theoretical studies of surface reactions on metals International Journal of Quantum Chemistry. 56: 41-47. DOI: 10.1002/Qua.560560806 |
0.358 |
|
| 1994 |
Yang H, Jing Z, Whitten JL. Reaction of CH4 and CH3F with Si(111) Journal of Electron Spectroscopy and Related Phenomena. 69: 23-29. DOI: 10.1016/S0368-2048(14)80005-4 |
0.399 |
|
| 1994 |
Whitten JL, Cremaschi P, Thomas RE, Rudder RA, Markunas RJ. Effects of oxygen on surface reconstruction of carbon Applied Surface Science. 75: 45-50. DOI: 10.1016/0169-4332(94)90134-1 |
0.411 |
|
| 1994 |
Yang H, Whitten JL, Markunas RJ. Bonding of carbon to nickel surfaces: effects of subsurface Na, H and C Applied Surface Science. 75: 12-20. DOI: 10.1016/0169-4332(94)90129-5 |
0.446 |
|
| 1994 |
Yang H, Whitten JL, Friend CM. Adsorption of CH3O on Ni(111) Surface Science. 313: 295-307. DOI: 10.1016/0039-6028(94)90050-7 |
0.472 |
|
| 1994 |
Jing Z, Whitten JL. Ab initio studies of H chemisorption on C(100) surface Surface Science. 314: 300-306. DOI: 10.1016/0039-6028(94)90014-0 |
0.468 |
|
| 1993 |
Yang H, Whitten JL. Dissociative adsorption of H2 on Ni(111) Journal of Chemical Physics. 98: 5039-5049. DOI: 10.1063/1.464958 |
0.463 |
|
| 1993 |
Whitten JL. Theoretical studies of surface reactions: embedded cluster theory Chemical Physics. 177: 387-397. DOI: 10.1016/0301-0104(93)80020-A |
0.422 |
|
| 1993 |
Hong Y, Whitten JL. Reaction of CH4 with substitutional Fe/Ni(111) Surface Science. 289: 30-38. DOI: 10.1016/0039-6028(93)90885-N |
0.405 |
|
| 1993 |
Yang H, Whitten JL, Markunas RJ. Effects of subsurface Na, H and C on the bonding of carbon to nickel surfaces Surface Science. 294. DOI: 10.1016/0039-6028(93)90102-P |
0.448 |
|
| 1993 |
Jing Z, Lucovsky G, Whitten J. Mechanism of H2 desorption from monohydride Si(100)2 × 1H Surface Science. 296: L33-L37. DOI: 10.1016/0039-6028(93)90022-C |
0.456 |
|
| 1992 |
Yang H, Whitten JL. Dissociative chemisorption of CH4 on Ni(111) Journal of Chemical Physics. 96: 5529-5537. DOI: 10.1063/1.462690 |
0.432 |
|
| 1992 |
Yang H, Whitten JL, Thomas RE, Rudder RA, Markunas RJ. Effects of subsurface Na, H and C on CH3 adsorption on Ni(111) Surface Science. 277. DOI: 10.1016/0167-2584(92)90140-Z |
0.423 |
|
| 1992 |
Jing Z, Whitten JL. Ab initio studies of Si(100) surface reconstruction Surface Science. 274: 106-112. DOI: 10.1016/0039-6028(92)90104-E |
0.462 |
|
| 1991 |
Lucovsky G, Jing Z, Whitten JL. Chemical induction effects: O-incorporation in, and substitutional doping of a-Si:H Journal of Non-Crystalline Solids. 119-122. DOI: 10.1016/S0022-3093(05)80071-7 |
0.341 |
|
| 1991 |
Jing Z, Whitten JL. The adsorption of benzene on Ni(111) Surface Science. 250: 147-158. DOI: 10.1016/0039-6028(91)90717-7 |
0.49 |
|
| 1991 |
Yang H, Whitten JL. Chemisorption of atomic H and CHx fragments on Ni(111) Surface Science. 255: 193-207. DOI: 10.1016/0039-6028(91)90021-J |
0.501 |
|
| 1989 |
Yang H, Whitten JL. Reaction of chemisorbed CH and H on nickel Journal of Chemical Physics. 91: 126-136. DOI: 10.1063/1.457499 |
0.363 |
|
| 1988 |
Yang H, Whitten JL. Chemisorption of hydrogen on the nickel (111) surface Journal of Chemical Physics. 89: 5329-5334. DOI: 10.1063/1.455624 |
0.505 |
|
| 1988 |
Zhang Y, Sukumar N, Whitten JL, Porter RN. Ab initio evaluation of the Born correction, Born couplings, and higher derivative matrix elements with Gaussian‐lobe orbitals Journal of Chemical Physics. 88: 7662-7670. DOI: 10.1063/1.454280 |
0.34 |
|
| 1968 |
Buenker RJ, Whitten JL, Petke JD. Ab Initio SCF MO and CI Calculations on the Electronic Spectrum of Benzene Journal of Chemical Physics. 49: 2261-2267. DOI: 10.1063/1.1670394 |
0.388 |
|
| 1968 |
Buenker RJ, Whitten JL. Ab Initio SCF MO and CI Studies of the Electronic States of Butadiene Journal of Chemical Physics. 49: 5381-5387. DOI: 10.1063/1.1670062 |
0.415 |
|
| 1967 |
Buenker RJ, Peyerimhoff SD, Whitten JL. Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6 The Journal of Chemical Physics. 46: 2029-2039. DOI: 10.1063/1.1840998 |
0.409 |
|
| 1967 |
Peyerimhoff SD, Buenker RJ, Whitten JL. Study of Linear Stretch in Polyatomic Molecules: Accurate SCF MO Wavefunctions for CO2 and BeF2 The Journal of Chemical Physics. 46: 1707-1716. DOI: 10.1063/1.1840925 |
0.38 |
|
| 1966 |
Buenker RJ, Peyerimhoff SD, Allen LC, Whitten JL. Geometry of Molecules. II. Diborane and Ethane The Journal of Chemical Physics. 45: 2835-2847. DOI: 10.1063/1.1728036 |
0.383 |
|
| 1963 |
Whitten JL. Gaussian Expansion of Hydrogen‐Atom Wavefunctions Journal of Chemical Physics. 39: 349-352. DOI: 10.1063/1.1734251 |
0.3 |
|
| Show low-probability matches. |