| Year |
Citation |
Score |
| 2024 |
Qian Y, Nguyen TL, Franke PR, Stanton JF, Lester MI. Nonstatistical Unimolecular Decay of the CHOO Criegee Intermediate in the Tunneling Regime. The Journal of Physical Chemistry Letters. 6222-6229. PMID 38838341 DOI: 10.1021/acs.jpclett.4c01401 |
0.315 |
|
| 2024 |
Franke PR, Stanton JF. Influence of fourth-order vibrational corrections on semi-experimental (reSE) structures of linear molecules. The Journal of Chemical Physics. 160. PMID 38174791 DOI: 10.1063/5.0177694 |
0.33 |
|
| 2024 |
Changala PB, Franke PR, Stanton JF, Ellison GB, McCarthy MC. Direct Probes of π-Delocalization in Prototypical Resonance-Stabilized Radicals: Hyperfine-Resolved Microwave Spectroscopy of Isotopic Propargyl and Cyanomethyl. Journal of the American Chemical Society. PMID 38170910 DOI: 10.1021/jacs.3c11220 |
0.314 |
|
| 2023 |
Jaffe NB, Stanton JF, Heaven MC. Photoelectron Velocity Map Imaging Spectroscopy of the Beryllium Trimer and Tetramer. The Journal of Physical Chemistry Letters. 14: 8339-8344. PMID 37699253 DOI: 10.1021/acs.jpclett.3c02169 |
0.302 |
|
| 2023 |
Smith HH, Esselman BJ, Wood SA, Stanton JF, Woods RC, McMahon RJ. Improved semi-experimental equilibrium structure and high-level theoretical structures of ketene. The Journal of Chemical Physics. 158. PMID 37352424 DOI: 10.1063/5.0154770 |
0.326 |
|
| 2023 |
Franke PR, Stanton JF. Rotamers of Methanediol: Composite Predictions of Structures, Frequencies, and Rovibrational Constants. The Journal of Physical Chemistry. A. 127: 924-937. PMID 36657011 DOI: 10.1021/acs.jpca.2c06686 |
0.333 |
|
| 2022 |
Agbaglo DA, Cheng Q, Fortenberry RC, Stanton JF, DeYonker NJ. Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide-Multireference Character Thwarts a Full Analysis of All Isomers. The Journal of Physical Chemistry. A. PMID 35758849 DOI: 10.1021/acs.jpca.2c01340 |
0.632 |
|
| 2021 |
Stanton JF. Why the CC Stretch in HCC Is So Anharmonic. The Journal of Physical Chemistry. A. 125: 7694-7698. PMID 34496573 DOI: 10.1021/acs.jpca.1c06372 |
0.346 |
|
| 2021 |
Owen AN, Zdanovskaia MA, Esselman BJ, Stanton JF, Woods RC, McMahon RJ. Semi-Experimental Equilibrium () and Theoretical Structures of Pyridazine (-CHN). The Journal of Physical Chemistry. A. PMID 34478298 DOI: 10.1021/acs.jpca.1c06187 |
0.309 |
|
| 2021 |
Esselman BJ, Zdanovskaia MA, Owen AN, Stanton JF, Woods RC, McMahon RJ. Precise equilibrium structure of thiazole (c-CHNS) from twenty-four isotopologues. The Journal of Chemical Physics. 155: 054302. PMID 34364360 DOI: 10.1063/5.0057221 |
0.314 |
|
| 2020 |
Schmid PC, Greenberg J, Nguyen TL, Thorpe JH, Catani KJ, Krohn OA, Miller MI, Stanton JF, Lewandowski HJ. Isomer-selected ion-molecule reactions of acetylene cations with propyne and allene. Physical Chemistry Chemical Physics : Pccp. 22: 20303-20310. PMID 32966448 DOI: 10.1039/D0Cp03953E |
0.312 |
|
| 2020 |
Schurkus HF, Chan GK, Chen DT, Cheng HP, Stanton JF. Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations. The Journal of Chemical Physics. 152: 234115. PMID 32571049 DOI: 10.1063/1.5144696 |
0.408 |
|
| 2020 |
Matthews DA, Cheng L, Harding ME, Lipparini F, Stopkowicz S, Jagau TC, Szalay PG, Gauss J, Stanton JF. Coupled-cluster techniques for computational chemistry: The CFOUR program package. The Journal of Chemical Physics. 152: 214108. PMID 32505146 DOI: 10.1063/5.0004837 |
0.635 |
|
| 2020 |
McCarthy MC, Lee KLK, Carroll PB, Porterfield JP, Changala B, Thorpe JH, Stanton JF. Exhaustive Product Analysis of Three Benzene Discharges by Microwave Spectroscopy. The Journal of Physical Chemistry. A. PMID 32437151 DOI: 10.1021/Acs.Jpca.0C02919 |
0.318 |
|
| 2020 |
Reilly NJ, Kokkin DL, Ward ML, Flores J, Ross SD, McCaslin LM, Stanton JF. Gas-phase optical detection of 3-ethynylcyclopentenyl: A resonance-stabilized CH radical with an embedded 1-vinylpropargyl chromophore. Journal of the American Chemical Society. PMID 32396343 DOI: 10.1021/Jacs.0C01579 |
0.731 |
|
| 2020 |
Haggag OS, Malakar P, Pokhilko P, Stanton JF, Krylov AI, Ruhman S. The elusive dynamics of aqueous permanganate photochemistry. Physical Chemistry Chemical Physics : Pccp. PMID 32338267 DOI: 10.1039/C9Cp07028A |
0.384 |
|
| 2020 |
Nguyen TL, Stanton JF. Pressure-Dependent Rate Constant Caused by Tunneling Effects: OH + HNO as an Example. The Journal of Physical Chemistry Letters. PMID 32320247 DOI: 10.1021/Acs.Jpclett.0C00733 |
0.331 |
|
| 2020 |
Nguyen TL, Stanton JF. Pragmatic Solution for a Fully E,J-Resolved Master Equation. The Journal of Physical Chemistry. A. PMID 32207958 DOI: 10.1021/Acs.Jpca.9B11379 |
0.372 |
|
| 2020 |
Heim ZN, Amberger BK, Esselman BJ, Stanton JF, Woods RC, McMahon RJ. Molecular structure determination: Equilibrium structure of pyrimidine (m-CHN) from rotational spectroscopy (r) and high-level ab initio calculation (r) agree within the uncertainty of experimental measurement. The Journal of Chemical Physics. 152: 104303. PMID 32171207 DOI: 10.1063/1.5144914 |
0.451 |
|
| 2020 |
Thorpe JH, Stanton JF. Hartree-Fock instabilities and the diagonal Born-Oppenheimer correction Molecular Physics. DOI: 10.1080/00268976.2020.1742936 |
0.362 |
|
| 2020 |
Nguyen TL, Ravishankara A, Stanton JF. Reaction of N2O with the prototype singlet biradical CH2: A theoretical study Chemical Physics Letters. 749: 137446. DOI: 10.1016/J.Cplett.2020.137446 |
0.314 |
|
| 2020 |
Barker JR, Stanton JF, Nguyen TL. Semiclassical transition state theory/master equation kinetics of HO + CO: Performance evaluation International Journal of Chemical Kinetics. DOI: 10.1002/Kin.21420 |
0.316 |
|
| 2019 |
Babin MC, DeVine JA, DeWitt M, Stanton JF, Neumark DM. High Resolution Photoelectron Spectroscopy of Cryogenically-Cooled NO. The Journal of Physical Chemistry Letters. PMID 31765169 DOI: 10.1021/Acs.Jpclett.9B03055 |
0.413 |
|
| 2019 |
Thorpe JH, Lopez CA, Nguyen TL, Baraban JH, Bross DH, Ruscic B, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency. The Journal of Chemical Physics. 150: 224102. PMID 31202223 DOI: 10.1063/1.5095937 |
0.33 |
|
| 2019 |
Sharma K, Garner S, Miller TA, Stanton JF. First-Principles Calculation of Jahn-Teller Rotational Distortion Parameters. The Journal of Physical Chemistry. A. 123: 4990-5004. PMID 31117600 DOI: 10.1021/acs.jpca.9b03360 |
0.381 |
|
| 2019 |
Hernandez-Castillo AO, Abeysekera C, Stanton JF, Zwier TS. Structural Characterization of Phenoxy Radical with Mass-Correlated Broadband Microwave Spectroscopy. The Journal of Physical Chemistry Letters. 2919-2923. PMID 31084013 DOI: 10.1021/Acs.Jpclett.9B00837 |
0.393 |
|
| 2019 |
Rabidoux SM, Cave RJ, Stanton JF. A Non-Adiabatic Investigation of the Electronic Spectroscopy of trans-1,3-Butadiene. The Journal of Physical Chemistry. A. PMID 30897900 DOI: 10.1021/Acs.Jpca.9B01021 |
0.385 |
|
| 2019 |
Nguyen TL, Ruscic B, Stanton JF. A master equation simulation for the OH + CHOH reaction. The Journal of Chemical Physics. 150: 084105. PMID 30823757 DOI: 10.1063/1.5081827 |
0.326 |
|
| 2019 |
Thomas AM, Dangi BB, Yang T, Tarczay G, Kaiser RI, Sun BJ, Chen SY, Chang AHH, Nguyen TL, Stanton JF, Mebel AM. Directed Gas Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H)Si). The Journal of Physical Chemistry Letters. PMID 30817157 DOI: 10.1021/Acs.Jpclett.9B00284 |
0.331 |
|
| 2019 |
McCarthy MC, Martin-Drumel MA, Baraban J, Changala PB, Stanton J. The hunt for elusive molecules: Insights from joint theoretical and experimental investigations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30673130 DOI: 10.1002/Chem.201805986 |
0.366 |
|
| 2019 |
Stanton JF. Calculation of C6 dispersion constants with coupled-cluster theory. Physical Review. a, Atomic, Molecular, and Optical Physics. 49: 1698-1703. PMID 9910418 DOI: 10.1103/Physreva.49.1698 |
0.39 |
|
| 2019 |
Martin‐Drumel M, Baraban JH, Changala PB, Stanton JF, McCarthy MC. Frontispiece: The Hunt for Elusive Molecules: Insights from Joint Theoretical and Experimental Investigations Chemistry – a European Journal. 25. DOI: 10.1002/Chem.201983062 |
0.301 |
|
| 2018 |
Tajti A, Stanton JF, Matthews DA, Szalay PG. Accuracy of coupled cluster excited state potential energy surfaces. Journal of Chemical Theory and Computation. PMID 30299948 DOI: 10.1021/Acs.Jctc.8B00681 |
0.43 |
|
| 2018 |
Goel P, Stanton JF. Semiclassical transition state theory based on fourth order vibrational perturbation theory: Model system studies beyond symmetric Eckart barrier. The Journal of Chemical Physics. 149: 134109. PMID 30292215 DOI: 10.1063/1.5040978 |
0.398 |
|
| 2018 |
Yang Z, Schnorr K, Bhattacherjee A, Lefebvre PL, Epshtein M, Xue T, Stanton J, Leone SR. Electron Withdrawing Effects in the Photodissociation of CHICl to Form CHCl Radical, Simultaneously Viewed Through the Carbon K and Chlorine L X-ray Edges. Journal of the American Chemical Society. PMID 30247894 DOI: 10.1021/Jacs.8B08303 |
0.387 |
|
| 2018 |
Gong JZ, Matthews DA, Changala PB, Stanton JF. Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results. The Journal of Chemical Physics. 149: 114102. PMID 30243279 DOI: 10.1063/1.5040360 |
0.396 |
|
| 2018 |
Nguyen TL, Stanton J. Three-Dimensional Master Equation (3DME) Approach. The Journal of Physical Chemistry. A. PMID 30179015 DOI: 10.1021/Acs.Jpca.8B06593 |
0.321 |
|
| 2018 |
Abeysekera C, Hernandez-Castillo AO, Stanton JF, Zwier TS. Broadband Microwave Spectroscopy of 2-Furanyloxy Radical: Primary Pyrolysis Product of the Second-Generation Biofuel 2-Methoxyfuran. The Journal of Physical Chemistry. A. PMID 30063137 DOI: 10.1021/Acs.Jpca.8B05102 |
0.385 |
|
| 2018 |
Ranka K, Zhao N, Yu L, Stanton JF, Polfer NC. Radical Rearrangement Chemistry in Ultraviolet Photodissociation of Iodotyrosine Systems: Insights from Metastable Dissociation, Infrared Ion Spectroscopy, and Reaction Pathway Calculations. Journal of the American Society For Mass Spectrometry. PMID 29845561 DOI: 10.1007/S13361-018-1959-1 |
0.323 |
|
| 2018 |
McGuire BA, Martin-Drumel MA, Lee KLK, Stanton JF, Gottlieb CA, McCarthy MC. Vibrational satellites of CS, CS, and CS: microwave spectral taxonomy as a stepping stone to the millimeter-wave band. Physical Chemistry Chemical Physics : Pccp. PMID 29740643 DOI: 10.1039/C8Cp01102H |
0.353 |
|
| 2018 |
Nguyen TL, Thorpe JH, Bross DH, Ruscic B, Stanton JF. Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study. The Journal of Physical Chemistry Letters. PMID 29697985 DOI: 10.1021/Acs.Jpclett.8B01259 |
0.46 |
|
| 2018 |
Lunny KG, Benitez Y, Albeck Y, Strasser D, Stanton JF, Continetti R. Spectroscopy of Ethylenedione and Ethynediolide: A Reinvestigation. Angewandte Chemie (International Ed. in English). PMID 29486066 DOI: 10.1002/Anie.201801848 |
0.354 |
|
| 2018 |
Morgan WJ, Matthews DA, Ringholm M, Agarwal J, Gong JZ, Ruud K, Allen WD, Stanton JF, Schaefer HF. Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde. Journal of Chemical Theory and Computation. PMID 29474074 DOI: 10.1021/Acs.Jctc.7B01138 |
0.451 |
|
| 2018 |
Cheng L, Wang F, Stanton JF, Gauss J. Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods. The Journal of Chemical Physics. 148: 044108. PMID 29390840 DOI: 10.1063/1.5012041 |
0.696 |
|
| 2018 |
McCaslin LM, Stanton JF. A VSEPR-inspired force field for determining molecular properties of PF5 Molecular Physics. 117: 1344-1350. DOI: 10.1080/00268976.2018.1543907 |
0.726 |
|
| 2018 |
Bui TQ, Changala PB, Bjork BJ, Yu Q, Wang Y, Stanton JF, Bowman J, Ye J. Spectral analyses of trans- and cis-DOCO transients via comb spectroscopy Molecular Physics. 116: 3710-3717. DOI: 10.1080/00268976.2018.1484949 |
0.301 |
|
| 2018 |
Tran HK, Stanton JF, Miller TA. Quantifying the effects of higher order coupling terms on fits using a second order Jahn-Teller Hamiltonian Journal of Molecular Spectroscopy. 343: 102-115. DOI: 10.1016/J.Jms.2017.09.010 |
0.423 |
|
| 2017 |
Weichman ML, Cheng L, Kim JB, Stanton JF, Neumark DM. Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations. The Journal of Chemical Physics. 146: 224309. PMID 29166074 DOI: 10.1063/1.4984963 |
0.626 |
|
| 2017 |
Doney KD, Zhao D, Stanton JF, Linnartz H. Theoretical investigation of the infrared spectrum of small polyynes. Physical Chemistry Chemical Physics : Pccp. PMID 29116269 DOI: 10.1039/C7Cp06131E |
0.45 |
|
| 2017 |
Nguyen TL, Stanton JF. High-level theoretical study of the reaction between hydroxyl and ammonia: Accurate rate constants from 200 to 2500 K. The Journal of Chemical Physics. 147: 152704. PMID 29055339 DOI: 10.1063/1.4986151 |
0.328 |
|
| 2017 |
McCarthy MC, Lee KLK, Stanton JF. Detection and structural characterization of nitrosamide H2NNO: A central intermediate in deNOx processes. The Journal of Chemical Physics. 147: 134301. PMID 28987087 DOI: 10.1063/1.4992097 |
0.353 |
|
| 2017 |
Seifert NA, Zaleski DP, Fehnel R, Goswami M, Pate BH, Lehmann KK, Leung HO, Marshall MD, Stanton JF. The gas-phase structure of the asymmetric, trans-dinitrogen tetroxide (N2O4), formed by dimerization of nitrogen dioxide (NO2), from rotational spectroscopy and ab initio quantum chemistry. The Journal of Chemical Physics. 146: 134305. PMID 28390374 DOI: 10.1063/1.4979182 |
0.357 |
|
| 2017 |
Cheng L, Gauss J, Ruscic B, Armentrout PB, Stanton JF. Bond dissociation energies for diatomic molecules containing 3d transition metals: Benchmark scalar-relativistic coupled-cluster calculations for twenty molecules. Journal of Chemical Theory and Computation. PMID 28080054 DOI: 10.1021/Acs.Jctc.6B00970 |
0.701 |
|
| 2017 |
Yang T, Dangi BB, Kaiser RI, Chao KH, Sun BJ, Chang AH, Nguyen TL, Stanton JF. Gas-Phase Formation of the Disilavinylidene (H2 SiSi) Transient. Angewandte Chemie (International Ed. in English). PMID 28042695 DOI: 10.1002/Anie.201611107 |
0.309 |
|
| 2017 |
Gribakin GF, Stanton JF, Danielson JR, Natisin MR, Surko CM. Mode coupling and multiquantum vibrational excitations in Feshbach-resonant positron annihilation in molecules Physical Review A. 96. DOI: 10.1103/Physreva.96.062709 |
0.414 |
|
| 2016 |
Matthews DA, Stanton JF. A new approach to approximate equation-of-motion coupled cluster with triple excitations. The Journal of Chemical Physics. 145: 124102. PMID 27782677 DOI: 10.1063/1.4962910 |
0.418 |
|
| 2016 |
Nguyen TL, McCaslin L, McCarthy MC, Stanton JF. Communication: Thermal unimolecular decomposition of syn-CH3CHOO: A kinetic study. The Journal of Chemical Physics. 145: 131102. PMID 27782412 DOI: 10.1063/1.4964393 |
0.725 |
|
| 2016 |
Lee KL, Rabidoux SM, Stanton JF. Cation States of Ethane: HEAT Calculations and Vibronic Simulations of the Photoelectron Spectrum of Ethane. The Journal of Physical Chemistry. A. PMID 27636321 DOI: 10.1021/Acs.Jpca.6B07516 |
0.416 |
|
| 2016 |
Chapin BM, Metola P, Lynch VM, Stanton JF, James TD, Anslyn EV. Structural and Thermodynamic Analysis of a Three-Component Assembly Forming ortho-Iminophenylboronate Esters. The Journal of Organic Chemistry. PMID 27588921 DOI: 10.1021/Acs.Joc.6B01495 |
0.32 |
|
| 2016 |
Stanton JF. Semiclassical Transition-State Theory Based on Fourth-Order Vibrational Perturbation Theory: The Symmetrical Eckart Barrier. The Journal of Physical Chemistry Letters. 2708-2713. PMID 27358083 DOI: 10.1021/Acs.Jpclett.6B01239 |
0.427 |
|
| 2016 |
Krechkivska O, Bacskay GB, Welsh BA, Nauta K, Kable SH, Stanton JF, Schmidt TW. The ionization energy of C2. The Journal of Chemical Physics. 144: 144305. PMID 27083719 DOI: 10.1063/1.4944932 |
0.403 |
|
| 2016 |
McCarthy MC, Martinez O, McGuire BA, Crabtree KN, Martin-Drumel MA, Stanton JF. Isotopic studies of trans- and cis-HOCO using rotational spectroscopy: Formation, chemical bonding, and molecular structures. The Journal of Chemical Physics. 144: 124304. PMID 27036445 DOI: 10.1063/1.4944070 |
0.386 |
|
| 2016 |
Cave RJ, Stanton JF. A simple quasi-diabatization scheme suitable for spectroscopic problems based on one-electron properties of interacting states. The Journal of Chemical Physics. 144: 054110. PMID 26851911 DOI: 10.1063/1.4940426 |
0.38 |
|
| 2015 |
Cernicharo J, McCarthy MC, Gottlieb CA, Agúndez M, Velilla Prieto L, Baraban JH, Changala PB, Guélin M, Kahane C, Martin-Drumel MA, Patel NA, Reilly NJ, Stanton JF, Quintana-Lacaci G, Thorwirth S, et al. Discovery of SiCSi in IRC +10216: A missing link between gas and dust carriers of Si-C bonds. The Astrophysical Journal. Letters. 806. PMID 26722621 DOI: 10.1088/2041-8205/806/1/L3 |
0.301 |
|
| 2015 |
Zhang X, Sander SP, Cheng L, Thimmakondu VS, Stanton JF. Matrix-Isolated Infrared Absorption Spectrum of CH2IOO Radical. The Journal of Physical Chemistry. A. PMID 26695757 DOI: 10.1016/j.cplett.2016.05.060 |
0.573 |
|
| 2015 |
Baraban JH, Changala PB, Mellau GC, Stanton JF, Merer AJ, Field RW. Spectroscopic characterization of isomerization transition states. Science (New York, N.Y.). 350: 1338-1342. PMID 26659051 DOI: 10.1126/Science.Aac9668 |
0.319 |
|
| 2015 |
Matthews DA, Stanton JF. Accelerating the convergence of higher-order coupled cluster methods. The Journal of Chemical Physics. 143: 204103. PMID 26627946 DOI: 10.1063/1.4936241 |
0.368 |
|
| 2015 |
Oliveira AM, Lu YJ, Lehman JH, Changala PB, Baraban JH, Stanton JF, Lineberger WC. Photoelectron Spectroscopy of the Methide Anion: Electron Affinities of (•)CH3 and (•)CD3 and Inversion Splittings of CH3(-) and CD3(.) Journal of the American Chemical Society. PMID 26389796 DOI: 10.1021/Jacs.5B07013 |
0.424 |
|
| 2015 |
Amberger BK, Esselman BJ, Stanton JF, Woods RC, McMahon RJ. Precise equilibrium structure determination of hydrazoic acid (HN3) by millimeter-wave spectroscopy. The Journal of Chemical Physics. 143: 104310. PMID 26374038 DOI: 10.1063/1.4929792 |
0.434 |
|
| 2015 |
Thompson MC, Baraban JH, Matthews DA, Stanton JF, Weber JM. Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions. The Journal of Chemical Physics. 142: 234304. PMID 26093556 DOI: 10.1063/1.4922609 |
0.336 |
|
| 2015 |
Cheng L, Gauss J, Stanton JF. Relativistic coupled-cluster calculations on XeF6: Delicate interplay between electron-correlation and basis-set effects. The Journal of Chemical Physics. 142: 224309. PMID 26071712 DOI: 10.1063/1.4922112 |
0.709 |
|
| 2015 |
Southworth SH, Wehlitz R, Picón A, Lehmann CS, Cheng L, Stanton JF. Inner-shell photoionization and core-hole decay of Xe and XeF2. The Journal of Chemical Physics. 142: 224302. PMID 26071705 DOI: 10.1063/1.4922208 |
0.539 |
|
| 2015 |
Codd T, Chen MW, Roudjane M, Stanton JF, Miller TA. Jet cooled cavity ringdown spectroscopy of the A˜(2)E(″)←X˜(2)A2 (') transition of the NO3 radical. The Journal of Chemical Physics. 142: 184305. PMID 25978889 DOI: 10.1063/1.4919690 |
0.353 |
|
| 2015 |
Nguyen TL, Lee H, Matthews DA, McCarthy MC, Stanton JF. Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis. The Journal of Physical Chemistry. A. 119: 5524-33. PMID 25945650 DOI: 10.1021/Acs.Jpca.5B02088 |
0.388 |
|
| 2015 |
Broderick BM, McCaslin L, Moradi CP, Stanton JF, Douberly GE. Reactive intermediates in (4)He nanodroplets: infrared laser Stark spectroscopy of dihydroxycarbene. The Journal of Chemical Physics. 142: 144309. PMID 25877580 DOI: 10.1063/1.4917421 |
0.733 |
|
| 2015 |
Nguyen TL, Stanton JF. A Steady-State Approximation to the Two-Dimensional Master Equation for Chemical Kinetics Calculations. The Journal of Physical Chemistry. A. 119: 7627-36. PMID 25815602 DOI: 10.1021/Acs.Jpca.5B00997 |
0.363 |
|
| 2015 |
Matthews DA, Stanton JF. Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations. The Journal of Chemical Physics. 142: 064108. PMID 25681888 DOI: 10.1063/1.4907278 |
0.402 |
|
| 2015 |
Martinez O, Crabtree KN, Gottlieb CA, Stanton JF, McCarthy MC. An accurate molecular structure of phenyl, the simplest aryl radical. Angewandte Chemie (International Ed. in English). 54: 1808-11. PMID 25521111 DOI: 10.1002/Anie.201409896 |
0.37 |
|
| 2015 |
Ormond TK, Hemberger P, Troy TP, Ahmed M, Stanton JF, Ellison GB. The ionisation energy of cyclopentadienone: a photoelectron–photoion coincidence study Molecular Physics. DOI: 10.1080/00268976.2015.1042936 |
0.332 |
|
| 2015 |
Zhang R, Steimle TC, Cheng L, Stanton JF. The permanent electric dipole moment of gold chloride, AuCl Molecular Physics. DOI: 10.1080/00268976.2014.996619 |
0.407 |
|
| 2014 |
Kidwell NM, Vaquero-Vara V, Ormond TK, Buckingham GT, Zhang D, Mehta-Hurt DN, McCaslin L, Nimlos MR, Daily JW, Dian BC, Stanton JF, Ellison GB, Zwier TS. Chirped-Pulse Fourier Transform Microwave Spectroscopy Coupled with a Flash Pyrolysis Microreactor: Structural Determination of the Reactive Intermediate Cyclopentadienone. The Journal of Physical Chemistry Letters. 5: 2201-7. PMID 26279534 DOI: 10.1021/Jz5010895 |
0.73 |
|
| 2014 |
Nguyen TL, McCarthy MC, Stanton JF. Relatively Selective Production of the Simplest Criegee Intermediate in a CH4/O2 Electric Discharge: Kinetic Analysis of a Plausible Mechanism. The Journal of Physical Chemistry. A. PMID 25405528 DOI: 10.1021/Jp510554G |
0.376 |
|
| 2014 |
Rabidoux SM, Eijkhout V, Stanton JF. Parallelization strategy for large-scale vibronic coupling calculations. The Journal of Physical Chemistry. A. 118: 12059-68. PMID 25295469 DOI: 10.1021/Jp507880Q |
0.4 |
|
| 2014 |
Khuseynov D, Stanton JF, Sanov A. Low-lying electronic states of cyclopentadienone. The Journal of Physical Chemistry. A. 118: 6965-70. PMID 25093249 DOI: 10.1021/Jp506237U |
0.361 |
|
| 2014 |
Osborn DL, Vogelhuber KM, Wren SW, Miller EM, Lu YJ, Case AS, Sheps L, McMahon RJ, Stanton JF, Harding LB, Ruscic B, Lineberger WC. Electronic states of the quasilinear molecule propargylene (HCCCH) from negative ion photoelectron spectroscopy. Journal of the American Chemical Society. 136: 10361-72. PMID 25009990 DOI: 10.1021/Ja5039984 |
0.355 |
|
| 2014 |
Nguyen TL, Stanton JF. Accurate ab initio thermal rate constants for reaction of O((3)P) with H2 and isotopic analogues. The Journal of Physical Chemistry. A. 118: 4918-28. PMID 24914730 DOI: 10.1021/Jp5037124 |
0.346 |
|
| 2014 |
Cave RJ, Stanton JF. Block diagonalization of the equation-of-motion coupled cluster effective Hamiltonian: treatment of diabatic potential constants and triple excitations. The Journal of Chemical Physics. 140: 214112. PMID 24907995 DOI: 10.1063/1.4880757 |
0.38 |
|
| 2014 |
Leavitt CM, Moradi CP, Stanton JF, Douberly GE. Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene. The Journal of Chemical Physics. 140: 171102. PMID 24811618 DOI: 10.1063/1.4874850 |
0.362 |
|
| 2014 |
Prozument K, Park GB, Shaver RG, Vasiliou AK, Oldham JM, David DE, Muenter JS, Stanton JF, Suits AG, Ellison GB, Field RW. Chirped-Pulse millimeter-Wave spectroscopy for dynamics and kinetics studies of pyrolysis reactions. Physical Chemistry Chemical Physics : Pccp. 16: 15739-51. PMID 24756159 DOI: 10.1039/C3Cp55352C |
0.336 |
|
| 2014 |
Womack CC, Crabtree KN, McCaslin L, Martinez O, Field RW, Stanton JF, McCarthy MC. Gas-phase structure determination of dihydroxycarbene, one of the smallest stable singlet carbenes. Angewandte Chemie (International Ed. in English). 53: 4089-92. PMID 24623525 DOI: 10.1002/Anie.201311082 |
0.713 |
|
| 2014 |
Ormond TK, Scheer AM, Nimlos MR, Robichaud DJ, Daily JW, Stanton JF, Ellison GB. Polarized matrix infrared spectra of cyclopentadienone: observations, calculations, and assignment for an important intermediate in combustion and biomass pyrolysis. The Journal of Physical Chemistry. A. 118: 708-18. PMID 24383399 DOI: 10.1021/Jp411257K |
0.377 |
|
| 2014 |
Piech K, Bally T, Ichino T, Stanton J. Vibronic spectra of the p-benzoquinone radical anion and cation: A matrix isolation and computational study Physical Chemistry Chemical Physics. 16: 2011-2019. PMID 24343305 DOI: 10.1039/C3Cp53960A |
0.417 |
|
| 2014 |
Nagesh J, Sibert EL, Stanton JF. Simulation of Ã(2)A(1)←X̃(2)E laser excitation spectrum of CH3O and CD3O. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 90-9. PMID 23507527 DOI: 10.1016/J.Saa.2013.02.037 |
0.4 |
|
| 2014 |
Head-Gordon M, Lüthi HP, Gauss J, Schaefer HF, Stanton JF. Introduction to proceedings of Molecular Quantum Mechanics 2013: Electron correlation: The many-body problem at the heart of chemistry Molecular Physics. 112: 557-558. DOI: 10.1080/00268976.2014.881089 |
0.471 |
|
| 2014 |
Kidwell NM, Vaquero-Vara V, Ormond TK, Buckingham GT, Zhang D, Mehta-Hurt DN, McCaslin L, Nimlos MR, Daily JW, Dian BC, Stanton JF, Ellison GB, Zwier TS. Chirped-pulse fourier transform microwave spectroscopy coupled with a flash pyrolysis microreactor: Structural determination of the reactive intermediate cyclopentadienone Journal of Physical Chemistry Letters. 5: 2201-2207. DOI: 10.1021/jz5010895 |
0.681 |
|
| 2014 |
Solomonik E, Matthews D, Hammond JR, Stanton JF, Demmel J. A massively parallel tensor contraction framework for coupled-cluster computations Journal of Parallel and Distributed Computing. 74: 3176-3190. DOI: 10.1016/J.Jpdc.2014.06.002 |
0.343 |
|
| 2013 |
Matthews DA, Gauss J, Stanton JF. Revisitation of Nonorthogonal Spin Adaptation in Coupled Cluster Theory. Journal of Chemical Theory and Computation. 9: 2567-72. PMID 26583853 DOI: 10.1021/Ct301024V |
0.501 |
|
| 2013 |
Esselman BJ, Amberger BK, Shutter JD, Daane MA, Stanton JF, Woods RC, McMahon RJ. Rotational spectroscopy of pyridazine and its isotopologs from 235-360 GHz: equilibrium structure and vibrational satellites. The Journal of Chemical Physics. 139: 224304. PMID 24329065 DOI: 10.1063/1.4832899 |
0.447 |
|
| 2013 |
Wang F, Steimle TC, Adam AG, Cheng L, Stanton JF. The pure rotational spectrum of ruthenium monocarbide, RuC, and relativistic ab initio predictions. The Journal of Chemical Physics. 139: 174318. PMID 24206309 DOI: 10.1063/1.4828458 |
0.624 |
|
| 2013 |
Urness KN, Guan Q, Golan A, Daily JW, Nimlos MR, Stanton JF, Ahmed M, Ellison GB. Pyrolysis of furan in a microreactor. The Journal of Chemical Physics. 139: 124305. PMID 24089765 DOI: 10.1063/1.4821600 |
0.304 |
|
| 2013 |
Fulara J, Nagy A, Filipkowski K, Thimmakondu VS, Stanton JF, Maier JP. Electronic transitions of C6H4+ isomers: neon matrix and theoretical studies. The Journal of Physical Chemistry. A. 117: 13605-15. PMID 24074188 DOI: 10.1021/Jp407566H |
0.339 |
|
| 2013 |
Prozument K, Shaver RG, Ciuba MA, Muenter JS, Park GB, Stanton JF, Guo H, Wong BM, Perry DS, Field RW. A new approach toward transition state spectroscopy. Faraday Discussions. 163: 33-57; discussion 11. PMID 24020195 DOI: 10.1039/C3Fd20160K |
0.521 |
|
| 2013 |
Nguyen TL, Li J, Dawes R, Stanton JF, Guo H. Accurate determination of barrier height and kinetics for the F + H2O → HF + OH reaction. The Journal of Physical Chemistry. A. 117: 8864-72. PMID 23947780 DOI: 10.1021/Jp4069448 |
0.443 |
|
| 2013 |
Cheng L, Gauss J, Stanton JF. Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach. The Journal of Chemical Physics. 139: 054105. PMID 23927241 DOI: 10.1063/1.4816130 |
0.656 |
|
| 2013 |
Stanton JF. Note: Is it symmetric or not? The Journal of Chemical Physics. 139: 046102. PMID 23902032 DOI: 10.1063/1.4816766 |
0.343 |
|
| 2013 |
Le A, Steimle TC, Morse MD, Garcia MA, Cheng L, Stanton JF. Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi. The Journal of Physical Chemistry. A. 117: 13292-302. PMID 23815391 DOI: 10.1021/Jp404950P |
0.565 |
|
| 2013 |
Ulusoy IS, Stanton JF, Hernandez R. Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization. The Journal of Physical Chemistry. A. 117: 7553-60. PMID 23773152 DOI: 10.1021/Jp402322H |
0.388 |
|
| 2013 |
Lee H, Baraban JH, Field RW, Stanton JF. High-accuracy estimates for the vinylidene-acetylene isomerization energy and the ground state rotational constants of :C═CH2. The Journal of Physical Chemistry. A. 117: 11679-83. PMID 23621573 DOI: 10.1021/Jp400035A |
0.361 |
|
| 2013 |
Nguyen TL, Stanton JF. Ab initio thermal rate calculations of HO + HO = O(3P) + H2O reaction and isotopologues. The Journal of Physical Chemistry. A. 117: 2678-86. PMID 23473073 DOI: 10.1021/Jp312246Q |
0.324 |
|
| 2013 |
Weston RE, Nguyen TL, Stanton JF, Barker JR. HO + CO reaction rates and H/D kinetic isotope effects: master equation models with ab initio SCTST rate constants. The Journal of Physical Chemistry. A. 117: 821-35. PMID 23317151 DOI: 10.1021/Jp311928W |
0.376 |
|
| 2013 |
McCaslin L, Stanton J. Calculation of fundamental frequencies for small polyatomic molecules: A comparison between correlation consistent and atomic natural orbital basis sets Molecular Physics. 111: 1492-1496. DOI: 10.1080/00268976.2013.811303 |
0.759 |
|
| 2013 |
McCarthy MC, Cheng L, Crabtree KN, Martinez O, Nguyen TL, Womack CC, Stanton JF. The simplest criegee intermediate (H2C=O-O): Isotopic spectroscopy, equilibrium structure, and possible formation from atmospheric lightning Journal of Physical Chemistry Letters. 4: 4133-4139. DOI: 10.1021/Jz4023128 |
0.333 |
|
| 2013 |
Ulusoy IS, Stanton JF, Hernandez R. Correction to “Effects of Roaming Trajectories on the Transition State Theory Rates of a Reduced-Dimensional Model of Ketene Isomerization” The Journal of Physical Chemistry A. 117: 10567-10568. DOI: 10.1021/Jp408997Z |
0.322 |
|
| 2013 |
Matthews DA, Gauss J, Stanton JF. Revisitation of nonorthogonal spin adaptation in coupled cluster theory Journal of Chemical Theory and Computation. 9: 2567-2572. DOI: 10.1021/ct301024v |
0.46 |
|
| 2012 |
Nguyen TL, Xue BC, Weston RE, Barker JR, Stanton JF. Reaction of HO with CO: Tunneling Is Indeed Important. The Journal of Physical Chemistry Letters. 3: 1549-53. PMID 26285636 DOI: 10.1021/Jz300443A |
0.4 |
|
| 2012 |
Cheng L, Stopkowicz S, Stanton JF, Gauss J. The route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants. The Journal of Chemical Physics. 137: 224302. PMID 23248998 DOI: 10.1063/1.4767767 |
0.686 |
|
| 2012 |
Zhang X, Sander SP, Stanton JF. Detection of the far-IR ν12 bending level in propargyl: a complete set of fundamentals for an important radical. The Journal of Physical Chemistry. A. 116: 10338-43. PMID 22970766 DOI: 10.1021/Jp305390P |
0.394 |
|
| 2012 |
Nolan AM, Amberger BK, Esselman BJ, Thimmakondu VS, Stanton JF, Woods RC, McMahon RJ. Carbonyl diazide, OC(N3)2: synthesis, purification, and IR spectrum. Inorganic Chemistry. 51: 9846-51. PMID 22928580 DOI: 10.1021/Ic301270B |
0.322 |
|
| 2012 |
Tabor DP, Harding ME, Ichino T, Stanton JF. High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals. The Journal of Physical Chemistry. A. 116: 7668-76. PMID 22784201 DOI: 10.1021/Jp302527N |
0.722 |
|
| 2012 |
Reilly NJ, Kokkin DL, Zhuang X, Gupta V, Nagarajan R, Fortenberry RC, Maier JP, Steimle TC, Stanton JF, McCarthy MC. The electronic spectrum of Si3 I: triplet D(3h) system. The Journal of Chemical Physics. 136: 194307. PMID 22612095 DOI: 10.1063/1.4704672 |
0.637 |
|
| 2012 |
Stanton JF, Garand E, Kim J, Yacovitch TI, Hock C, Case AS, Miller EM, Lu YJ, Vogelhuber KM, Wren SW, Ichino T, Maier JP, McMahon RJ, Osborn DL, Neumark DM, et al. Ground and low-lying excited states of propadienylidene (H2C=C=C:) obtained by negative ion photoelectron spectroscopy. The Journal of Chemical Physics. 136: 134312. PMID 22482557 DOI: 10.1063/1.3696896 |
0.358 |
|
| 2012 |
Wren SW, Vogelhuber KM, Ichino T, Stanton JF, Lineberger WC. Photoelectron spectroscopy of anilinide and acidity of aniline. The Journal of Physical Chemistry. A. 116: 3118-23. PMID 22420311 DOI: 10.1021/Jp211463R |
0.332 |
|
| 2012 |
Barker JR, Nguyen TL, Stanton JF. Kinetic isotope effects for Cl + CH4 ⇌ HCl + CH3 calculated using ab initio semiclassical transition state theory. The Journal of Physical Chemistry. A. 116: 6408-19. PMID 22295940 DOI: 10.1021/Jp212383U |
0.447 |
|
| 2012 |
McCarthy MC, Lattanzi V, Kokkin D, Martinez O, Stanton JF. On the molecular structure of HOOO. The Journal of Chemical Physics. 136: 034303. PMID 22280756 DOI: 10.1063/1.3673875 |
0.393 |
|
| 2012 |
Baraban JH, Stanton JF, Merer AJ, Field RW. Anharmonic force fields of cis- and trans-S1 C2H 2 Molecular Physics. 110: 2725-2733. DOI: 10.1080/00268976.2012.706328 |
0.388 |
|
| 2012 |
Sneskov K, Stanton JF. Effects of vibrational averaging on coupled cluster calculations of spin-spin coupling constants for hydrocarbons Molecular Physics. 110: 2321-2327. DOI: 10.1080/00268976.2012.678904 |
0.42 |
|
| 2012 |
Simmons CS, Ichino T, Stanton JF. The ν 3fundamental in NO 3has been seen near 1060 cm -1, albeit some time ago Journal of Physical Chemistry Letters. 3: 1946-1950. DOI: 10.1021/Jz300721B |
0.37 |
|
| 2012 |
Zeng X, Beckers H, Willner H, Stanton JF. Fascinating diazirinone: A violet gas European Journal of Inorganic Chemistry. 3403-3409. DOI: 10.1002/Ejic.201200337 |
0.301 |
|
| 2011 |
Vázquez J, Harding ME, Stanton JF, Gauss J. Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy. Journal of Chemical Theory and Computation. 7: 1428-1442. PMID 26610133 DOI: 10.1021/Ct100711U |
0.602 |
|
| 2011 |
Stanton JF. Quantitative vibronic coupling calculations. The visible spectrum of propadienylidene. Faraday Discussions. 150: 331-43; discussion 3. PMID 22457955 DOI: 10.1039/C0Fd00029A |
0.428 |
|
| 2011 |
Johnson CJ, Harding ME, Poad BL, Stanton JF, Continetti RE. Electron affinities, well depths, and vibrational spectroscopy of cis- and trans-HOCO. Journal of the American Chemical Society. 133: 19606-9. PMID 22053945 DOI: 10.1021/Ja207724F |
0.401 |
|
| 2011 |
O'Connor GD, Troy TP, Roberts DA, Chalyavi N, Fückel B, Crossley MJ, Nauta K, Stanton JF, Schmidt TW. Spectroscopy of the free phenalenyl radical. Journal of the American Chemical Society. 133: 14554-7. PMID 21854045 DOI: 10.1021/Ja206322N |
0.365 |
|
| 2011 |
Harding ME, Vázquez J, Gauss J, Stanton JF, Kállay M. Towards highly accurate ab initio thermochemistry of larger systems: benzene. The Journal of Chemical Physics. 135: 044513. PMID 21806144 DOI: 10.1063/1.3609250 |
0.578 |
|
| 2011 |
Baraban JH, Beck AR, Steeves AH, Stanton JF, Field RW. Reduced dimension discrete variable representation study of cis-trans isomerization in the S1 state of C2H2. The Journal of Chemical Physics. 134: 244311. PMID 21721634 DOI: 10.1063/1.3570823 |
0.442 |
|
| 2011 |
Nguyen TL, Stanton JF, Barker JR. Ab initio reaction rate constants computed using semiclassical transition-state theory: HO + H2 → H2O + H and isotopologues. The Journal of Physical Chemistry. A. 115: 5118-26. PMID 21539339 DOI: 10.1021/Jp2022743 |
0.422 |
|
| 2011 |
Beames JM, Lester MI, Murray C, Varner ME, Stanton JF. Analysis of the HOOO torsional potential. The Journal of Chemical Physics. 134: 044304. PMID 21280722 DOI: 10.1063/1.3518415 |
0.478 |
|
| 2011 |
Vázquez J, Harding ME, Stanton JF, Gauss J. Vibrational energy levels via finite-basis calculations using a quasi-analytic form of the kinetic energy Journal of Chemical Theory and Computation. 7: 1428-1442. DOI: 10.1021/ct100711u |
0.507 |
|
| 2011 |
Kokkin DL, Reilly NJ, McCarthy MC, Stanton JF. Experimental and theoretical investigation of the B̃ 1A′ - X̃1A′ electronic transition of CuSH Journal of Molecular Spectroscopy. 268: 23-27. DOI: 10.1016/J.Jms.2011.03.023 |
0.318 |
|
| 2011 |
Klein K, Garand E, Ichino T, Neumark DM, Gauss J, Stanton JF. Quantitative vibronic coupling calculations: The formyloxyl radical Theoretical Chemistry Accounts. 129: 527-543. DOI: 10.1007/S00214-011-0893-0 |
0.596 |
|
| 2010 |
Stanton JF. An unusually large nonadiabatic error in the BNB molecule. The Journal of Chemical Physics. 133: 174309. PMID 21054034 DOI: 10.1063/1.3505217 |
0.459 |
|
| 2010 |
Zhang X, Sander SP, Chaimowitz A, Ellison GB, Stanton JF. Detection of vibrational bending mode ν8 and overtone bands of the propargyl radical, HCCCH2 X̃ 2B1. The Journal of Physical Chemistry. A. 114: 12021-7. PMID 20973539 DOI: 10.1021/Jp105605F |
0.361 |
|
| 2010 |
Shuman NS, Johnson M, Stevens WR, Harding ME, Stanton JF, Baer T. Tunneling in a simple bond scission: the surprising Barrier in the H loss from HCOOH(+). The Journal of Physical Chemistry. A. 114: 10016-23. PMID 20738134 DOI: 10.1021/Jp105724J |
0.386 |
|
| 2010 |
Fortenberry RC, King RA, Stanton JF, Crawford TD. A benchmark study of the vertical electronic spectra of the linear chain radicals C(2)H and C(4)H. The Journal of Chemical Physics. 132: 144303. PMID 20405992 DOI: 10.1063/1.3376073 |
0.714 |
|
| 2010 |
Shaffer CJ, Esselman BJ, McMahon RJ, Stanton JF, Woods RC. Attempted isolation and characterization of diazirinone (N2CO). The Journal of Organic Chemistry. 75: 1815-21. PMID 20151692 DOI: 10.1021/Jo9026462 |
0.384 |
|
| 2010 |
Jochnowitz EB, Zhang X, Nimlos MR, Flowers BA, Stanton JF, Ellison GB. Infrared spectrum of the propargyl peroxyl radical, HC[triple bond]C-CH2OO X 2A''. The Journal of Physical Chemistry. A. 114: 1498-507. PMID 20039710 DOI: 10.1021/Jp907806G |
0.76 |
|
| 2010 |
Garand E, Klein K, Stanton JF, Zhou J, Yacovitch TI, Neumark DM. Vibronic structure of the formyloxyl radical (HCO2) via slow photoelectron velocity-map imaging spectroscopy and model Hamiltonian calculations. The Journal of Physical Chemistry. A. 114: 1374-83. PMID 19736951 DOI: 10.1021/Jp9067894 |
0.433 |
|
| 2010 |
Puzzarini C, Stanton JF, Gauss J. Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy International Reviews in Physical Chemistry. 29: 273-367. DOI: 10.1080/01442351003643401 |
0.532 |
|
| 2010 |
Nguyen TL, Stanton JF, Barker JR. A practical implementation of semi-classical transition state theory for polyatomics Chemical Physics Letters. 499: 9-15. DOI: 10.1016/J.Cplett.2010.09.015 |
0.392 |
|
| 2010 |
Pabst M, Köhn A, Gauss J, Stanton JF. A worrisome failure of the CC2 coupled-cluster method when applied to ozone Chemical Physics Letters. 495: 135-140. DOI: 10.1016/J.Cplett.2010.06.023 |
0.59 |
|
| 2009 |
Varner ME, Harding ME, Vázquez J, Gauss J, Stanton JF. Dissociation energy of the HOOO radical. The Journal of Physical Chemistry. A. 113: 11238-41. PMID 19785472 DOI: 10.1021/Jp907262S |
0.594 |
|
| 2009 |
Manohar PU, Stanton JF, Krylov AI. Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples. The Journal of Chemical Physics. 131: 114112. PMID 19778105 DOI: 10.1063/1.3231133 |
0.409 |
|
| 2009 |
Vázquez J, Harding ME, Gauss J, Stanton JF. High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes. The Journal of Physical Chemistry. A. 113: 12447-53. PMID 19583197 DOI: 10.1021/Jp9029908 |
0.494 |
|
| 2009 |
Stanton JF, Okumura M. On the vibronic level structure in the NO3 radical. Part III. Observation of intensity borrowing via ground state mixing. Physical Chemistry Chemical Physics : Pccp. 11: 4742-4. PMID 19492127 DOI: 10.1039/B902252J |
0.371 |
|
| 2009 |
Ichino T, Gauss J, Stanton JF. Quasidiabatic states described by coupled-cluster theory. The Journal of Chemical Physics. 130: 174105. PMID 19425767 DOI: 10.1063/1.3127246 |
0.582 |
|
| 2009 |
Hobson SL, Valeev EF, Csaszar AG, Stanton JF. Is the adiabatic approximation sufficient to account for the post-Born-Oppenheimer effects on molecular electric dipole moments? Molecular Physics. 107: 1153-1159. DOI: 10.1080/00268970902780262 |
0.38 |
|
| 2009 |
Matthews DA, Stanton JF. Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections Molecular Physics. 107: 213-222. DOI: 10.1080/00268970902769463 |
0.416 |
|
| 2009 |
Stanton JF. On the vibronic level structure in the NO3 radical: II. Adiabatic calculation of the infrared spectrum Molecular Physics. 107: 1059-1075. DOI: 10.1080/00268970902740530 |
0.459 |
|
| 2008 |
Ichino T, Wren SW, Vogelhuber KM, Gianola AJ, Lineberger WC, Stanton JF. The vibronic level structure of the cyclopentadienyl radical. The Journal of Chemical Physics. 129: 084310. PMID 19044826 DOI: 10.1063/1.2973631 |
0.42 |
|
| 2008 |
Kummli DS, Lobsiger S, Frey HM, Leutwyler S, Stanton JF. Accurate determination of the structure of cyclooctatetraene by femtosecond rotational coherence spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 112: 9134-43. PMID 18754607 DOI: 10.1021/Jp803523Y |
0.39 |
|
| 2008 |
Solomonik VG, Stanton JF, Boggs JE. Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods. The Journal of Chemical Physics. 128: 244104. PMID 18601314 DOI: 10.1063/1.2939574 |
0.493 |
|
| 2008 |
Kjaergaard HG, Garden AL, Chaban GM, Gerber RB, Matthews DA, Stanton JF. Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches. The Journal of Physical Chemistry. A. 112: 4324-35. PMID 18407701 DOI: 10.1021/Jp710066F |
0.592 |
|
| 2008 |
Harding ME, Vázquez J, Ruscic B, Wilson AK, Gauss J, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview. The Journal of Chemical Physics. 128: 114111. PMID 18361558 DOI: 10.1063/1.2835612 |
0.545 |
|
| 2008 |
Stanton JF, Flowers BA, Matthews DA, Ware AF, Ellison GB. Gas-phase infrared spectrum of methyl nitrate Journal of Molecular Spectroscopy. 251: 384-393. DOI: 10.1016/J.Jms.2008.03.026 |
0.757 |
|
| 2008 |
Varner ME, Harding ME, Gauss J, Stanton JF. On the geometry of the HO3 radical Chemical Physics. 346: 53-55. DOI: 10.1016/J.Chemphys.2008.02.001 |
0.552 |
|
| 2007 |
Cortez MH, Brinkmann NR, Polik WF, Taylor PR, Bomble YJ, Stanton JF. Factors Contributing to the Accuracy of Harmonic Force Field Calculations for Water. Journal of Chemical Theory and Computation. 3: 1267-74. PMID 26633200 DOI: 10.1021/Ct600347E |
0.662 |
|
| 2007 |
Flowers BA, Stanton JF, Simpson WR. Wavelength dependence of nitrate radical quantum yield from peroxyacetyl nitrate photolysis: experimental and theoretical studies. The Journal of Physical Chemistry. A. 111: 11602-7. PMID 17958340 DOI: 10.1021/Jp0749118 |
0.792 |
|
| 2007 |
Thom RL, Wong BM, Field RW, Stanton JF. Studies of intersystem crossing dynamics in acetylene. The Journal of Chemical Physics. 126: 184307. PMID 17508803 DOI: 10.1063/1.2730832 |
0.617 |
|
| 2007 |
Zhang X, Nimlos MR, Ellison GB, Varner ME, Stanton JF. Vibrational overtone spectrum of matrix isolated cis, cis-HOONO. The Journal of Chemical Physics. 126: 174308. PMID 17492864 DOI: 10.1063/1.2720392 |
0.395 |
|
| 2007 |
Stanton JF. On the vibronic level structure in the NO3 radical. I. The ground electronic state. The Journal of Chemical Physics. 126: 134309. PMID 17430034 DOI: 10.1063/1.2715547 |
0.361 |
|
| 2007 |
Wheeler SE, Robertson KA, Allen WD, Schaefer HF, Bomble YJ, Stanton JF. Thermochemistry of key soot formation intermediates: C3H3 isomers. The Journal of Physical Chemistry. A. 111: 3819-30. PMID 17402717 DOI: 10.1021/Jp0684630 |
0.677 |
|
| 2007 |
Garcia-Fernandez P, Boggs JE, Stanton JF. Ab initio simulation of the vibrationally resolved photoelectron spectrum of Si3-. The Journal of Chemical Physics. 126: 074305. PMID 17328603 DOI: 10.1063/1.2472329 |
0.421 |
|
| 2007 |
Matthews DA, Vazquez J, Stanton JF. Calculated stretching overtone levels and Darling-Dennison resonances in water: A triumph of simple theoretical approaches Molecular Physics. 105: 2659-2666. DOI: 10.1080/00268970701618424 |
0.417 |
|
| 2007 |
Vázquez J, Stanton JF. Treatment of Fermi resonance effects on transition moments in vibrational perturbation theory Molecular Physics. 105: 101-109. DOI: 10.1080/00268970601135784 |
0.394 |
|
| 2006 |
Gauss J, Tajti A, Kállay M, Stanton JF, Szalay PG. Analytic calculation of the diagonal Born-Oppenheimer correction within configuration-interaction and coupled-cluster theory. The Journal of Chemical Physics. 125: 144111. PMID 17042583 DOI: 10.1063/1.2356465 |
0.61 |
|
| 2006 |
Ichino T, Gianola AJ, Lineberger WC, Stanton JF. Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion: three-state interactions in the pyrazolyl-d3 radical. The Journal of Chemical Physics. 125: 084312. PMID 16965017 DOI: 10.1063/1.2338043 |
0.43 |
|
| 2006 |
Konen IM, Li EX, Lester MI, Vázquez J, Stanton JF. Infrared overtone spectroscopy and vibrational analysis of a Fermi resonance in nitric acid: Experiment and theory. The Journal of Chemical Physics. 125: 074310. PMID 16942342 DOI: 10.1063/1.2234772 |
0.452 |
|
| 2006 |
Bomble YJ, Vázquez J, Kállay M, Michauk C, Szalay PG, Császár AG, Gauss J, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification. The Journal of Chemical Physics. 125: 64108. PMID 16942274 DOI: 10.1063/1.2206789 |
0.731 |
|
| 2006 |
Tasi G, Izsák R, Matisz G, Császár AG, Kállay M, Ruscic B, Stanton JF. The origin of systematic error in the standard enthalpies of formation of hydrocarbons computed via atomization schemes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1664-7. PMID 16841354 DOI: 10.1002/Cphc.200600224 |
0.361 |
|
| 2006 |
Feierabend KJ, Havey DK, Varner ME, Stanton JF, Vaida V. A comparison of experimental and calculated spectra of HNO3 in the near-infrared using Fourier transform infrared spectroscopy and vibrational perturbation theory. The Journal of Chemical Physics. 124: 124323. PMID 16599690 DOI: 10.1063/1.2180248 |
0.44 |
|
| 2006 |
Bowling NP, Halter RJ, Hodges JA, Seburg RA, Thomas PS, Simmons CS, Stanton JF, McMahon RJ. Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H). Journal of the American Chemical Society. 128: 3291-302. PMID 16522111 DOI: 10.1021/Ja058252T |
0.383 |
|
| 2006 |
Zhang X, Nimlos MR, Ellison GB, Varner ME, Stanton JF. Infrared absorption spectra of matrix-isolated cis, cis-HOONO and its ab initio CCSD(T) anharmonic vibrational bands. The Journal of Chemical Physics. 124: 084305. PMID 16512714 DOI: 10.1063/1.2163343 |
0.313 |
|
| 2006 |
Okumura M, Stanton JF, Deev A, Sommar J. New insights into the Jahn-Teller effect in NO3 via the dark à 2E″ state Physica Scripta. 73: C64-C70. DOI: 10.1088/0031-8949/73/1/N12 |
0.391 |
|
| 2006 |
Vázquez J, Stanton JF. Simple(r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory Molecular Physics. 104: 377-388. DOI: 10.1080/00268970500290367 |
0.397 |
|
| 2006 |
Hansen JC, Flowers BA, Stanton JF. Computational study of the vibrational and electronic spectroscopy of a HO2-H2O2 complex Journal of Molecular Structure: Theochem. 768: 111-118. DOI: 10.1016/J.Theochem.2006.05.045 |
0.783 |
|
| 2005 |
Jochnowitz EB, Zhang X, Nimlos MR, Varner ME, Stanton JF, Ellison GB. Propargyl radical: ab initio anharmonic modes and the polarized infrared absorption spectra of matrix-isolated HCCCH2. The Journal of Physical Chemistry. A. 109: 3812-21. PMID 16833697 DOI: 10.1021/Jp040719J |
0.386 |
|
| 2005 |
Thorwirth S, McCarthy MC, Gottlieb CA, Thaddeus P, Gupta H, Stanton JF. Rotational spectroscopy and equilibrium structures of S3 and S4. The Journal of Chemical Physics. 123: 054326. PMID 16108658 DOI: 10.1063/1.1942495 |
0.382 |
|
| 2005 |
Bomble YJ, Stanton JF, Kállay M, Gauss J. Coupled-cluster methods including noniterative corrections for quadruple excitations. The Journal of Chemical Physics. 123: 054101. PMID 16108625 DOI: 10.1063/1.1950567 |
0.739 |
|
| 2005 |
Bomble YJ, Saeh JC, Stanton JF, Szalay PG, Kállay M, Gauss J. Equation-of-motion coupled-cluster methods for ionized states with an approximate treatment of triple excitations. The Journal of Chemical Physics. 122: 154107. PMID 15945625 DOI: 10.1063/1.1884600 |
0.813 |
|
| 2005 |
Stanton JF, Dudek J, Theulé P, Gupta H, McCarthy MC, Thaddeus P. Laser spectroscopy of Si3C. The Journal of Chemical Physics. 122: 124314. PMID 15836385 DOI: 10.1063/1.1869981 |
0.347 |
|
| 2005 |
Solomonik VG, Stanton JF, Boggs JE. Approaching the basis set limit for transition metal compounds with highly polar bonds: a benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra. The Journal of Chemical Physics. 122: 094322. PMID 15836143 DOI: 10.1063/1.1853376 |
0.446 |
|
| 2005 |
Konen IM, Pollack IB, Li EX, Lester MI, Varner ME, Stanton JF. Infrared overtone spectroscopy and unimolecular decay dynamics of peroxynitrous acid. The Journal of Chemical Physics. 122: 094320. PMID 15836141 DOI: 10.1063/1.1854094 |
0.434 |
|
| 2005 |
Szalay PG, Tajti A, Stanton JF. Ab initio determination of the heat of formation of ketenyl (HCCO) and ethynyl (CCH) radicals Molecular Physics. 103: 2159-2168. DOI: 10.1080/00268970500131124 |
0.44 |
|
| 2005 |
Solomonik VG, Stanton JF, Boggs JE. Publisher’s Note: “Approaching the basis set limit for transition metal compounds with highly polar bonds: A benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra” [J. Chem. Phys.122, 094322 (2005)] Journal of Chemical Physics. 122: 219902. DOI: 10.1063/1.1939827 |
0.343 |
|
| 2004 |
Tajti A, Szalay PG, Császár AG, Kállay M, Gauss J, Valeev EF, Flowers BA, Vázquez J, Stanton JF. HEAT: High accuracy extrapolated ab initio thermochemistry. The Journal of Chemical Physics. 121: 11599-613. PMID 15634125 DOI: 10.1063/1.1811608 |
0.82 |
|
| 2004 |
Szalay PG, Vázquez J, Simmons C, Stanton JF. Triplet instability in doublet systems. The Journal of Chemical Physics. 121: 7624-31. PMID 15485222 DOI: 10.1063/1.1795153 |
0.368 |
|
| 2004 |
Bomble YJ, Sattelmeyer KW, Stanton JF, Gauss J. On the vertical excitation energy of cyclopentadiene. The Journal of Chemical Physics. 121: 5236-40. PMID 15352816 DOI: 10.1063/1.1780159 |
0.749 |
|
| 2004 |
Hennrich G, David WM, Bomble YJ, Anslyn EV, Brodbelt JS, Stanton JF. Self-assembling dimeric and trimeric aggregates based on solvophobic and charge-pairing interactions Supramolecular Chemistry. 16: 521-528. DOI: 10.1080/10610270412331295995 |
0.583 |
|
| 2004 |
Ellison GB, Herbert JM, McCoy AB, Stanton JF, Szalay PG. Unimolecular rearrangement of trans-FONO to FNO 2. A possible model system for atmospheric nitrate formation Journal of Physical Chemistry A. 108: 7639-7642. DOI: 10.1021/Jp047220+ |
0.352 |
|
| 2004 |
Flowers BA, Szalay PG, Stanton JF, Kállay M, Gauss J, Császár AG. Benchmark Thermochemistry of the Hydroperoxyl Radical Journal of Physical Chemistry A. 108: 3195-3199. DOI: 10.1021/Jp037347J |
0.815 |
|
| 2003 |
McMahon RJ, McCarthy MC, Gottlieb CA, Dudek JB, Stanton JF, Thaddeus P. The radio spectrum of the phenyl radical Astrophysical Journal. 590: L61-L64. DOI: 10.1086/376587 |
0.346 |
|
| 2003 |
Merer AJ, Yamakita N, Tsuchiya S, Stanton JF, Duan Z, Field RW. New vibrational assignments in the Ã1 Au-X̃ 1Σg + electronic transition of acetylene, C2H2: The v′1 frequency Molecular Physics. 101: 663-673. DOI: 10.1080/0026897021000023640 |
0.396 |
|
| 2003 |
Auer A, Gauss J, Stanton JF. Quantitative prediction of gas-phase 13C nuclear magnetic shielding constants Journal of Chemical Physics. 118: 10407-10417. DOI: 10.1063/1.1574314 |
0.388 |
|
| 2003 |
Sattelmeyer KW, Schaefer HF, Stanton JF. Use of 2h and 3h - p-like coupled-cluster Tamm-Dancoff approaches for the equilibrium properties of ozone Chemical Physics Letters. 378: 42-46. DOI: 10.1016/S0009-2614(03)01181-3 |
0.346 |
|
| 2003 |
Stanton JF, Gauss J. A discussion of some problems associated with the quantum mechanical treatment of open-shell molecules Advances in Chemical Physics. 125: 101-146. DOI: 10.1002/0471428027.Ch2 |
0.468 |
|
| 2002 |
Price DR, Stanton JF. Computational study of [10]annulene NMR spectra. Organic Letters. 4: 2809-11. PMID 12182561 DOI: 10.1021/ol0200450 |
0.309 |
|
| 2002 |
Sattelmeyer KW, Schaefer HF, Stanton JF. The global minimum structure of SiC3: The controversy continues Journal of Chemical Physics. 116: 9151-9153. DOI: 10.1063/1.1480868 |
0.412 |
|
| 2002 |
Pawowski F, Jørgensen P, Olsen J, Hegelund F, Helgaker T, Gauss J, Bak KL, Stanton JF. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants Journal of Chemical Physics. 116: 6482-6496. DOI: 10.1063/1.1459782 |
0.596 |
|
| 2002 |
Gauss J, Stanton JF. Analytic gradients for the couples-cluster singles, doubles, and triples (CCSDT) model Journal of Chemical Physics. 116: 1773-1782. DOI: 10.1063/1.1429244 |
0.593 |
|
| 2002 |
Matzger AJ, Lewis KD, Nathan CE, Peebles SA, Peebles RA, Kuczkowski RL, Stanton JF, Oh JJ. Structures of diethynyl sulfide and bis(phenylethynyl) sulfide Journal of Physical Chemistry A. 106: 12110-12116. DOI: 10.1021/Jp021767B |
0.347 |
|
| 2002 |
Vázquez J, Stanton JF. Theoretical investigation of the structure and vibrational spectrum of the electronic ground state X̃(1A′) of HSiCl Journal of Physical Chemistry A. 106: 4429-4434. DOI: 10.1021/Jp013761C |
0.47 |
|
| 2002 |
Gauss J, Stanton JF. Electron-correlated approaches for the calculation of nmr chemical shifts Advances in Chemical Physics. 123: 355-422. DOI: 10.1002/0471231509.Ch6 |
0.542 |
|
| 2001 |
Halter RJ, Fimmen RL, McMahon RJ, Peebles SA, Kuczkowski RL, Stanton JF. Microwave spectra and molecular structures of (Z)-pent-2-en-4-ynenitrile and maleonitrile. Journal of the American Chemical Society. 123: 12353-63. PMID 11734037 DOI: 10.1021/Ja011195T |
0.45 |
|
| 2001 |
Stanton JF. Coupled-cluster theory, pseudo-Jahn-Teller effects and conical intersections Journal of Chemical Physics. 115: 10382-10393. DOI: 10.1063/1.1416176 |
0.398 |
|
| 2001 |
Stanton JF, Sattelmeyer KW, Gauss J, Allan M, Skalicky T, Bally T. On the photoelectron spectrum of p-benzoquinone Journal of Chemical Physics. 115: 1-4. DOI: 10.1063/1.1381575 |
0.56 |
|
| 2001 |
Crawford TD, Kraka E, Stanton JF, Cremer D. Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry Journal of Chemical Physics. 114: 10638-10650. DOI: 10.1063/1.1373433 |
0.618 |
|
| 2001 |
Sattelmeyer KW, Schaefer HF, Stanton JF. The equilibrium structure of the ammonium radical Rydberg ground state Journal of Chemical Physics. 114: 9863-9865. DOI: 10.1063/1.1371259 |
0.444 |
|
| 2001 |
Bak KL, Gauss J, Jørgensen P, Olsen J, Helgaker T, Stanton JF. The accurate determination of molecular equilibrium structures Journal of Chemical Physics. 114: 6548-6556. DOI: 10.1063/1.1357225 |
0.587 |
|
| 2001 |
Stanton JF, Gauss J, Christiansen O. Equilibrium geometries of cyclic SiC3 isomers Journal of Chemical Physics. 114: 2993-2995. DOI: 10.1063/1.1327270 |
0.587 |
|
| 2001 |
Sattelmeyer KW, Stanton JF, Olsen J, Gauss J. A comparison of excited state properties for iterative approximate triples linear response coupled cluster methods Chemical Physics Letters. 347: 499-504. DOI: 10.1016/S0009-2614(01)01013-2 |
0.6 |
|
| 2000 |
Stanton JF, Gauss J. Analytic second derivatives in high-order many-body perturbation and coupled-cluster theories: Computational considerations and applications International Reviews in Physical Chemistry. 19: 61-95. DOI: 10.1080/014423500229864 |
0.602 |
|
| 2000 |
Crawford TD, Stanton JF. Some surprising failures of Brueckner coupled cluster theory Journal of Chemical Physics. 112: 7873-7879. DOI: 10.1063/1.481424 |
0.621 |
|
| 2000 |
Gauss J, Stanton JF. Analytic first and second derivatives for the CCSDT-n (n = 1-3) models: A first step towards the efficient calculation of CCSDT properties Physical Chemistry Chemical Physics. 2: 2047-2060. DOI: 10.1039/A909820H |
0.547 |
|
| 2000 |
Gauss J, Stanton JF. The Equilibrium Structure of Benzene Journal of Physical Chemistry A. 104: 2865-2868. DOI: 10.1021/Jp994408Y |
0.569 |
|
| 2000 |
Gauss J, Cremer D, Stanton JF. The re Structure of Cyclopropane Journal of Physical Chemistry A. 104: 1319-1324. DOI: 10.1021/Jp993189D |
0.588 |
|
| 2000 |
Williams S, Harding LB, Stanton JF, Weisshaar JC. Barrier to methyl internal rotation of cis- and trans-2-methylvinoxy radicals in the X̃(2A″) and B̃(2A″) states: Experiment and theory Journal of Physical Chemistry A. 104: 9906-9913. DOI: 10.1021/Jp002431+ |
0.409 |
|
| 2000 |
Williams S, Harding LB, Stanton JF, Weisshaar JC. Barrier to Methyl Internal Rotation of 1-Methylvinoxy Radical in the X̃(2A‘ ‘) and B̃(2A‘ ‘) States: Experiment and Theory† Journal of Physical Chemistry A. 104: 10131-10138. DOI: 10.1021/Jp001009Q |
0.412 |
|
| 2000 |
Sattelmeyer KW, Stanton JF. Computational studies of C6H2 isomers Journal of the American Chemical Society. 122: 8220-8227. DOI: 10.1021/Ja9940874 |
0.399 |
|
| 2000 |
McMahon RJ, Halter RJ, Fimmen RL, Wilson RJ, Peebles SA, Kuczkowski RL, Stanton JF. Equilibrium structure of cis-hex-3-ene-1,5-diyne and relevance to the Bergman cyclization Journal of the American Chemical Society. 122: 939-949. DOI: 10.1021/Ja9934908 |
0.414 |
|
| 2000 |
Solomonik VG, Boggs JE, Stanton JF. The ground singlet and low-lying triplet electronic states of CuF 3 Journal of Molecular Structure-Theochem. 496: 213-216. DOI: 10.1016/S0166-1280(99)00188-8 |
0.437 |
|
| 2000 |
Gauss J, Stanton JF. Equilibrium structure of LiCCH International Journal of Quantum Chemistry. 77: 305-310. DOI: 10.1002/(Sici)1097-461X(2000)77:1<305::Aid-Qua28>3.0.Co;2-N |
0.462 |
|
| 1999 |
Stanton JF, Byun KS. Coupled-cluster studies of singlet propynylidene Molecular Physics. 96: 505-509. DOI: 10.1080/00268979909482987 |
0.451 |
|
| 1999 |
Stanton JF. A refined estimate of the bond length of methane Molecular Physics. 97: 841-845. DOI: 10.1080/00268979909482885 |
0.438 |
|
| 1999 |
Saeh JC, Stanton JF. Application of an equation-of-motion coupled cluster method including higher-order corrections to potential energy surfaces of radicals The Journal of Chemical Physics. 111: 8275-8285. DOI: 10.1063/1.480171 |
0.787 |
|
| 1999 |
McCarthy MC, Apponi AJ, Gordon VD, Gottlieb CA, Thaddeus P, Crawford TD, Stanton JF. Rotational spectrum and theoretical structure of the carbene HC4N Journal of Chemical Physics. 111: 6750-6754. DOI: 10.1063/1.479971 |
0.443 |
|
| 1999 |
Stanton JF, Gauss J. A simple scheme for the direct calculation of ionization potentials with coupled-cluster theory that exploits established excitation energy methods Journal of Chemical Physics. 111: 8785-8788. DOI: 10.1063/1.479673 |
0.63 |
|
| 1999 |
Christiansen O, Gauss J, Stanton JF, Jo/rgensen P. The electronic spectrum of pyrrole The Journal of Chemical Physics. 111: 525-537. DOI: 10.1063/1.479332 |
0.628 |
|
| 1999 |
Stanton JF, Gauss J. Vibrational structure in the vinylidene anion photoelectron spectrum: Closing the gap between theory and experiment Journal of Chemical Physics. 110: 6079-6080. DOI: 10.1063/1.478511 |
0.62 |
|
| 1999 |
Breidung J, Thiel W, Gauss J, Stanton JF. Anharmonic force fields from analytic CCSD(T) second derivatives: HOF and F2O The Journal of Chemical Physics. 110: 3687-3696. DOI: 10.1063/1.478258 |
0.586 |
|
| 1999 |
Stanton JF, Gauss J. An estimation of the isomerization energy of acetylene Journal of Chemical Physics. 110: 1831-1832. DOI: 10.1063/1.477890 |
0.585 |
|
| 1999 |
Solomonik VG, Boggs JE, Stanton JF. Jahn-Teller Effect in VF3 Journal of Physical Chemistry A. 103: 838-840. DOI: 10.1021/Jp984462Z |
0.455 |
|
| 1999 |
King RA, Crawford TD, Stanton JF, Schaefer HF. Conformations of [10]annulene: More bad news for density functional theory and second-order perturbation theory Journal of the American Chemical Society. 121: 10788-10793. DOI: 10.1021/Ja991429X |
0.624 |
|
| 1999 |
Crawford TD, Stanton JF, Saeh JC, Schaefer HF. Structure and energetics of isomers of the interstellar molecule C5H Journal of the American Chemical Society. 121: 1902-1911. DOI: 10.1021/Ja982532+ |
0.796 |
|
| 1999 |
Gauss J, Stanton JF. The equilibrium structure of propadienylidene Journal of Molecular Structure. 485: 43-50. DOI: 10.1016/S0022-2860(99)00084-8 |
0.587 |
|
| 1999 |
Christiansen O, Gauss J, Stanton JF. Frequency-dependent polarizabilities and first hyperpolarizabilities of CO and H2O from coupled cluster calculations Chemical Physics Letters. 305: 147-155. DOI: 10.1016/S0009-2614(99)00358-9 |
0.598 |
|
| 1998 |
Stanton JF, Gauss J. Anharmonicity in the ring stretching modes of diborane Journal of Chemical Physics. 108: 9218-9220. DOI: 10.1063/1.476417 |
0.579 |
|
| 1998 |
Stanton JF, Lopreore CL, Gauss J. The equilibrium structure and fundamental vibrational frequencies of dioxirane Journal of Chemical Physics. 108: 7190-7196. DOI: 10.1063/1.476136 |
0.561 |
|
| 1998 |
Christiansen O, Stanton JF, Gauss J. A coupled cluster study of the 1 1A1g and 1 1B2u states of benzene The Journal of Chemical Physics. 108: 3987-4001. DOI: 10.1063/1.475801 |
0.603 |
|
| 1998 |
Gauss J, Christiansen O, Stanton JF. Triple excitation effects in coupled-cluster calculations of frequency-dependent hyperpolarizabilities Chemical Physics Letters. 296: 117-124. DOI: 10.1016/S0009-2614(98)01013-6 |
0.607 |
|
| 1998 |
Christiansen O, Gauss J, Stanton JF. The effect of triple excitations in coupled cluster calculations of frequency-dependent polarizabilities Chemical Physics Letters. 292: 437-446. DOI: 10.1016/S0009-2614(98)00701-5 |
0.591 |
|
| 1998 |
Szalay PG, Gauss J, Stanton JF. Analytic Uhf-Ccsd(T) Second Derivatives : Implementation And Application To The Calculation Of The Vibration-Rotation Interaction Constants Of Nco And Ncs Theoretical Chemistry Accounts. 100: 5-11. DOI: 10.1007/S002140050360 |
0.618 |
|
| 1998 |
Crawford TD, Stanton JF. Investigation of an asymmetric triple-excitation correction for coupled-cluster energies International Journal of Quantum Chemistry. 70: 601-611. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<601::Aid-Qua6>3.0.Co;2-Z |
0.577 |
|
| 1997 |
Crawford TD, Stanton JF, Szalay PG, Schaefer HF. The C̃ 2A2 excited state of NO2: Evidence for a Cs equilibrium structure and a failure of some spin-restricted reference wavefunctions The Journal of Chemical Physics. 107: 2525-2528. DOI: 10.1063/1.474592 |
0.644 |
|
| 1997 |
Crawford TD, Stanton JF, Allen WD, Schaefer HF. Hartree-Fock orbital instability envelopes in highly correlated single-reference wave functions Journal of Chemical Physics. 107: 10626-10632. DOI: 10.1063/1.474178 |
0.628 |
|
| 1997 |
Seburg RA, McMahon RJ, Stanton JF, Gauss J. Structures and stabilities of C5H2 isomers: Quantum chemical studies Journal of the American Chemical Society. 119: 10838-10845. DOI: 10.1021/Ja971412J |
0.559 |
|
| 1997 |
Saeh JC, Stanton JF. Computational evidence for a metastable polar isomer of beryllium borohydride Journal of the American Chemical Society. 119: 7390-7391. DOI: 10.1021/Ja971124N |
0.7 |
|
| 1997 |
Seburg RA, Patterson EV, Stanton JF, McMahon RJ. Structures, automerizations, and isomerizations of C3H2 isomers Journal of the American Chemical Society. 119: 5847-5856. DOI: 10.1021/Ja9638869 |
0.334 |
|
| 1997 |
Stanton JF, Gauss J. Theoretical study of electronically excited cis- and trans-glyoxal Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 53: 1153-1162. DOI: 10.1016/S1386-1425(96)01866-5 |
0.625 |
|
| 1997 |
Gauss J, Stanton JF. Electron correlation effects on the calculated 13C NMR spectra of vinyl cations Journal of Molecular Structure-Theochem. 73-80. DOI: 10.1016/S0166-1280(96)04926-3 |
0.586 |
|
| 1997 |
Gauss J, Stanton JF. Analytic CCSD(T) second derivatives Chemical Physics Letters. 276: 70-77. DOI: 10.1016/S0009-2614(97)88036-0 |
0.575 |
|
| 1997 |
Stanton JF. Why CCSD(T) works: a different perspective Chemical Physics Letters. 281: 130-134. DOI: 10.1016/S0009-2614(97)01144-5 |
0.338 |
|
| 1997 |
Christiansen O, Gauss J, Stanton JF. Nuclear magnetic shielding constants in the CC2 model Chemical Physics Letters. 266: 53-60. DOI: 10.1016/S0009-2614(96)01503-5 |
0.585 |
|
| 1997 |
Stanton JF, Gauss J. A simple correction to final state energies of doublet radicals described by equation-of-motion coupled cluster theory in the singles and doubles approximation (Erratum) Theoretical Chemistry Accounts. 95: 97-98. DOI: 10.1007/Bf01127508 |
0.609 |
|
| 1997 |
Crane JC, Nam H, Beal HP, Clauberg H, Choi YS, Moore CB, Stanton JF. Vibrational Assignment of theS1Fluorescence Excitation Spectrum of Formyl Fluoride Journal of Molecular Spectroscopy. 181: 56-66. DOI: 10.1006/Jmsp.1996.7160 |
0.388 |
|
| 1996 |
Stanton JF, Gauss J. The first excited singlet state of s‐tetrazine: A theoretical analysis of some outstanding questions Journal of Chemical Physics. 104: 9859-9869. DOI: 10.1063/1.471750 |
0.623 |
|
| 1996 |
Sherrill CD, Vacek G, Yamaguchi Y, Schaefer HF, Stanton JF, Gauss J. The à 1Au state and the T2 potential surface of acetylene: Implications for triplet perturbations in the fluorescence spectra of the à state Journal of Chemical Physics. 104: 8507-8515. DOI: 10.1063/1.471658 |
0.613 |
|
| 1996 |
Gauss J, Stanton JF. Perturbative treatment of triple excitations in coupled‐cluster calculations of nuclear magnetic shielding constants Journal of Chemical Physics. 104: 2574-2583. DOI: 10.1063/1.471005 |
0.602 |
|
| 1996 |
Cui Q, Morokuma K, Stanton JF. Ab initio MO studies on the photodissociation of C2H2 from the S1 (1Au) state. Non-adiabatic effects and S-T interaction Chemical Physics Letters. 263: 46-53. DOI: 10.1016/S0009-2614(96)01190-6 |
0.368 |
|
| 1996 |
Stanton JF, Kadagathur NS. Pseudorotational interconversion of the 2A1 and 2B2 states of HCOO Journal of Molecular Structure. 376: 469-474. DOI: 10.1016/0022-2860(95)09071-1 |
0.416 |
|
| 1996 |
Stanton JF, Gauss J, Siehl HU. CCSD(T) calculation of NMR chemical shifts: consistency of calculated and measured 13C chemical shifts in the 1-cyclopropylcyclopropylidenemethyl cation Chemical Physics Letters. 262: 183-186. DOI: 10.1016/0009-2614(96)01077-9 |
0.572 |
|
| 1995 |
Gauss J, Stanton JF. Coupled-cluster calculations of nuclear magnetic resonance chemical shifts Journal of Chemical Physics. 103: 3561-3577. DOI: 10.1063/1.470240 |
0.607 |
|
| 1995 |
Stanton JF, Gauss J. Many‐body methods for excited state potential energy surfaces. II. Analytic second derivatives for excited state energies in the equation‐of‐motion coupled cluster method Journal of Chemical Physics. 103: 8931-8943. DOI: 10.1063/1.470083 |
0.61 |
|
| 1995 |
Stanton JF, Gauss J. Perturbative treatment of the similarity transformed Hamiltonian in equation‐of‐motion coupled‐cluster approximations Journal of Chemical Physics. 103: 1064-1076. DOI: 10.1063/1.469817 |
0.612 |
|
| 1995 |
Stanton JF, Gauss J, Ishikawa N, Head‐Gordon M. A comparison of single reference methods for characterizing stationary points of excited state potential energy surfaces The Journal of Chemical Physics. 103: 4160-4174. DOI: 10.1063/1.469601 |
0.581 |
|
| 1995 |
Stanton JF, Kadagathur NS. On the equilibrium bond length of ammonia in the first excited singlet state Journal of Chemical Physics. 102: 1096-1097. DOI: 10.1063/1.469458 |
0.425 |
|
| 1995 |
Gauss J, Stanton JF. Gauge‐invariant calculation of nuclear magnetic shielding constants at the coupled–cluster singles and doubles level Journal of Chemical Physics. 102: 251-253. DOI: 10.1063/1.469397 |
0.572 |
|
| 1995 |
Bühl M, Gauss J, Stanton JF. Accurate computations of 77Se NMR chemical shifts with the GIAO-CCSD method Chemical Physics Letters. 241: 248-252. DOI: 10.1016/0009-2614(95)00635-H |
0.539 |
|
| 1995 |
Stanton JF. Strong pseudo Jahn-Teller effect in the cyclic C3H radical Chemical Physics Letters. 237: 20-26. DOI: 10.1016/0009-2614(95)00270-E |
0.425 |
|
| 1995 |
Stanton JF, Gauss J. Analytic energy derivatives for the equation-of-motion coupled-cluster method: Algebraic expressions, implementation and application to the Theoretical Chemistry Accounts. 91: 267. DOI: 10.1007/S002140050104 |
0.523 |
|
| 1995 |
Stanton JF, Gauss J. Analytic energy derivatives for the equation-of-motion coupled-cluster method: Algebraic expressions, implementation and application to theS1 state of HFCO Theoretical Chemistry Accounts. 91: 267-289. DOI: 10.1007/Bf01133076 |
0.6 |
|
| 1994 |
Stanton JF. On the extent of spin contamination in open‐shell coupled‐cluster wave functions Journal of Chemical Physics. 101: 371-374. DOI: 10.1063/1.468144 |
0.324 |
|
| 1994 |
Stanton JF, Huang CM, Szalay PG. Stationary points on the S1 potential energy surface of C2H2 Journal of Chemical Physics. 101: 356-365. DOI: 10.1063/1.468142 |
0.362 |
|
| 1994 |
Stanton JF, Gauss J. Analytic energy derivatives for ionized states described by the equation‐of‐motion coupled cluster method Journal of Chemical Physics. 101: 8938-8944. DOI: 10.1063/1.468022 |
0.592 |
|
| 1994 |
Stanton JF. Separability properties of reduced and effective density matrices in the equation‐of‐motion coupled cluster method Journal of Chemical Physics. 101: 8928-8937. DOI: 10.1063/1.468021 |
0.357 |
|
| 1994 |
Stanton JF, Gauss J. Some predictions relevant to future spectroscopic observation of S1 vinylidene Journal of Chemical Physics. 101: 3001-3005. DOI: 10.1063/1.467613 |
0.598 |
|
| 1994 |
Stanton JF, Gauss J. Analytic energy gradients for the equation‐of‐motion coupled‐cluster method: Implementation and application to the HCN/HNC system Journal of Chemical Physics. 100: 4695-4698. DOI: 10.1063/1.466253 |
0.607 |
|
| 1994 |
Cernusak I, Urban M, Stanton JF, Bartlett RJ. C2H4B2N2: Ab Initio Prediction of Structure and Properties of Ring and Chain Compounds The Journal of Physical Chemistry. 98: 8653-8659. DOI: 10.1021/J100086A012 |
0.464 |
|
| 1993 |
Stanton JF, Bartlett RJ. A coupled‐cluster based effective Hamiltonian method for dynamic electric polarizabilities The Journal of Chemical Physics. 99: 5178-5183. DOI: 10.1063/1.466019 |
0.571 |
|
| 1993 |
Stanton JF. Many‐body methods for excited state potential energy surfaces. I. General theory of energy gradients for the equation‐of‐motion coupled‐cluster method Journal of Chemical Physics. 99: 8840-8847. DOI: 10.1063/1.465552 |
0.443 |
|
| 1993 |
Stanton JF, Bartlett RJ. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties The Journal of Chemical Physics. 98: 7029-7039. DOI: 10.1063/1.464746 |
0.554 |
|
| 1993 |
Stanton JF, Bartlett RJ. Does chlorine peroxide exhibit a strong ultraviolet absorption near 250 nm? The Journal of Chemical Physics. 98: 9335-9339. DOI: 10.1063/1.464412 |
0.55 |
|
| 1993 |
Cremer D, Gauss J, Kraka E, Stanton JF, Bartlett RJ. A CCSD (T) investigation of carbonyl oxide and dioxirane. Equilibrium geometries, dipole moments, infrared spectra, heats of formation and isomerization energies Chemical Physics Letters. 209: 547-556. DOI: 10.1016/0009-2614(93)80131-8 |
0.636 |
|
| 1992 |
Stanton JF, Bartlett RJ, Rittby CML. Fock space multireference coupled‐cluster theory for general single determinant reference functions The Journal of Chemical Physics. 97: 5560-5567. DOI: 10.1063/1.463763 |
0.556 |
|
| 1992 |
Stanton JF, Gauss J, Bartlett RJ. On the choice of orbitals for symmetry breaking problems with application to NO3 The Journal of Chemical Physics. 97: 5554-5559. DOI: 10.1063/1.463762 |
0.638 |
|
| 1992 |
Lauderdale WJ, Stanton JF, Gauss J, Watts JD, Bartlett RJ. Restricted open‐shell Hartree–Fock‐based many‐body perturbation theory: Theory and application of energy and gradient calculations The Journal of Chemical Physics. 97: 6606-6620. DOI: 10.1063/1.463664 |
0.685 |
|
| 1992 |
Gauss J, Stanton JF, Bartlett RJ. Analytic ROHF–MBPT(2) second derivatives The Journal of Chemical Physics. 97: 7825-7828. DOI: 10.1063/1.463452 |
0.662 |
|
| 1992 |
Watts JD, Gauss J, Stanton JF, Bartlett RJ. Linear and cyclic isomers of C4. A theoretical study with coupled‐cluster methods and large basis sets The Journal of Chemical Physics. 97: 8372-8381. DOI: 10.1063/1.463407 |
0.668 |
|
| 1992 |
Stanton JF, Gauss J, Bartlett RJ, Helgaker T, Jo/rgensen P, Jensen HJA, Taylor PR. Interconversion of diborane (4) isomers The Journal of Chemical Physics. 97: 1211-1216. DOI: 10.1063/1.463247 |
0.669 |
|
| 1992 |
Lauderdale WJ, Stanton JF, Bartlett RJ. Stability and energetics of metastable molecules: tetraazatetrahedrane (N4), hexaazabenzene (N6), and octaazacubane (N8) The Journal of Physical Chemistry. 96: 1173-1178. DOI: 10.1021/J100182A029 |
0.498 |
|
| 1992 |
Stanton JF, Gauss J, Bartlett RJ. Analytic evaluation of second derivatives using second-order many-body perturbation theory and unrestricted Hartree—Fock reference functions Chemical Physics Letters. 195: 194-199. DOI: 10.1016/0009-2614(92)86135-5 |
0.648 |
|
| 1992 |
Bendale RD, Stanton JF, Zerner MC. Investigation of the electronic structure and spectroscopy of Jahn-Teller distorted C+ 60 Chemical Physics Letters. 194: 467-471. DOI: 10.1016/0009-2614(92)86084-U |
0.377 |
|
| 1992 |
Szalay PG, Stanton JF, Bartlett RJ. A systematic coupled-cluster investigation of structure and vibrational frequencies of the lowest electronic states of ketenyl radical Chemical Physics Letters. 193: 573-579. DOI: 10.1016/0009-2614(92)85850-A |
0.579 |
|
| 1992 |
Stanton JF, Gauss J, Watts JD, Lauderdale WJ, Bartlett RJ. The ACES II program system International Journal of Quantum Chemistry. 44: 879-894. DOI: 10.1002/Qua.560440876 |
0.627 |
|
| 1991 |
Lipscomb WN, Stanton JF, Connick WB, Magers DH. The role of theory in studies of the diborane pyrolysis sequence Pure and Applied Chemistry. 63: 335-338. DOI: 10.1351/Pac199163030335 |
0.754 |
|
| 1991 |
Gauss J, Stanton JF, Bartlett RJ. Analytic evaluation of energy gradients at the coupled‐cluster singles and doubles level using quasi‐restricted Hartree–Fock open‐shell reference functions The Journal of Chemical Physics. 95: 2639-2645. DOI: 10.1063/1.460916 |
0.639 |
|
| 1991 |
Gauss J, Stanton JF, Bartlett RJ. Coupled‐cluster open‐shell analytic gradients: Implementation of the direct product decomposition approach in energy gradient calculations The Journal of Chemical Physics. 95: 2623-2638. DOI: 10.1063/1.460915 |
0.642 |
|
| 1991 |
Stanton JF, Gauss J, Bartlett RJ. Potential nonrigidity of the NO3 radical The Journal of Chemical Physics. 94: 4084-4087. DOI: 10.1063/1.460636 |
0.678 |
|
| 1991 |
Stanton JF, Gauss J, Watts JD, Bartlett RJ. A direct product decomposition approach for symmetry exploitation in many‐body methods. I. Energy calculations The Journal of Chemical Physics. 94: 4334-4345. DOI: 10.1063/1.460620 |
0.633 |
|
| 1991 |
Watts JD, Stanton JF, Gauss J, Bartlett RJ. A coupled‐cluster study of the ground state of C+3 The Journal of Chemical Physics. 94: 4320-4327. DOI: 10.1063/1.460618 |
0.676 |
|
| 1991 |
Stanton JF, Watts JD, Bartlett RJ. Harmonic vibrational frequencies and infrared intensities from analytic fourth‐order many‐body perturbation theory gradients The Journal of Chemical Physics. 94: 404-413. DOI: 10.1063/1.460356 |
0.552 |
|
| 1991 |
Magers DH, Lipscomb WN, Bartlett RJ, Stanton JF. The equilibrium structure and harmonic vibrational frequencies of ozone: Coupled cluster results including triple excitations The Journal of Chemical Physics. 96: 1945-1947. DOI: 10.1063/1.457053 |
0.798 |
|
| 1991 |
Hamrick YM, Zee RJV, Godbout JT, Weltner W, Lauderdale WJ, Stanton JF, Bartlett RJ. The boron-carbon monoxide molecule [Erratum to document cited in CA114(16):150616s] The Journal of Physical Chemistry. 95: 5366-5366. DOI: 10.1021/J100166A081 |
0.402 |
|
| 1991 |
Hamrick YM, Van Zee RJ, Godbout JT, Weltner W, Lauderdale WJ, Stanton JF, Bartlett RJ. The boron-carbon monoxide molecule The Journal of Physical Chemistry. 95: 2840-2844. DOI: 10.1021/J100160A039 |
0.514 |
|
| 1991 |
Stanton JF, Rittby CML, Bartlett RJ, Toohey DW. Low-lying isomers of the chlorine oxide dimer: a theoretical study The Journal of Physical Chemistry. 95: 2107-2110. DOI: 10.1021/J100159A004 |
0.45 |
|
| 1991 |
Lauderdale WJ, Stanton JF, Gauss J, Watts JD, Bartlett RJ. Many-body perturbation theory with a restricted open-shell Hartree—Fock reference Chemical Physics Letters. 187: 21-28. DOI: 10.1016/0009-2614(91)90478-R |
0.635 |
|
| 1991 |
Watts JD, Stanton JF, Bartlett RJ. A benchmark coupled-cluster single, double, and triple excitation (CCSDT) study of the structure and harmonic vibrational frequencies of the ozone molecule Chemical Physics Letters. 178: 471-474. DOI: 10.1016/0009-2614(91)87004-U |
0.556 |
|
| 1991 |
Gauss J, Lauderdale WJ, Stanton JF, Watts JD, Bartlett RJ. Analytic energy gradients for open-shell coupled-cluster singles and doubles (CCSD) calculations using restricted open-shell Hartree—Fock (ROHF) reference functions Chemical Physics Letters. 182: 207-215. DOI: 10.1016/0009-2614(91)80203-A |
0.699 |
|
| 1989 |
Stanton JF, Lipscomb WN, Magers DH, Bartlett RJ. Highly correlated single-reference studies of the O3 potential surface. I. Effects of high order excitations on the equilibrium structure and harmonic force field of ozone The Journal of Chemical Physics. 90: 1077-1082. DOI: 10.1063/1.456161 |
0.79 |
|
| 1989 |
Stanton JF, Lipscomb WN, Magers DH, Bartlett RJ. Correlated studies of infrared intensities The Journal of Chemical Physics. 90: 3241-3249. DOI: 10.1063/1.455876 |
0.79 |
|
| 1989 |
Stanton JF, Lipscomb WN, Bartlett RJ. A theoretical investigation of the structure and properties of BH5 Journal of the American Chemical Society. 111: 5173-5180. DOI: 10.1021/Ja00196A025 |
0.62 |
|
| 1989 |
Stanton JF, Lipscomb WN, Bartlett RJ. Early stages of diborane pyrolysis: A computational study Journal of the American Chemical Society. 111: 5165-5173. DOI: 10.1021/Ja00196A024 |
0.535 |
|
| 1989 |
Stanton JF, Lipscomb WN, Bartlett RJ, McKee ML. Electron correlation effects on the ground-state structure and stability of triborane(9) Inorganic Chemistry. 28: 109-111. DOI: 10.1021/Ic00300A025 |
0.589 |
|
| 1989 |
Stanton JF, Bartlett RJ, Magers DH, Lipscomb WN. Highly correlated single reference studies of the O3 potential surface. Dissociation and atomization energies Chemical Physics Letters. 163: 333-338. DOI: 10.1016/0009-2614(89)85145-0 |
0.809 |
|
| 1988 |
Stanton JF, Lipscomb WN, Bartlett RJ. Structure, energetics, and vibrational spectra of beryllium borohydride isomers The Journal of Chemical Physics. 88: 5726-5734. DOI: 10.1063/1.454532 |
0.654 |
|
| 1988 |
Stanton JF, Magers DH. Computation of quadratic electric dipole moment functions Journal of Chemical Physics. 88: 7650-7652. DOI: 10.1063/1.454278 |
0.721 |
|
| 1987 |
Stanton JF, Bartlett RJ, Lipscomb WN. A coupled-cluster and MBPT study of B2H6 and BH3 Chemical Physics Letters. 138: 525-530. DOI: 10.1016/0009-2614(87)80117-3 |
0.668 |
|
| 1986 |
Stanton JF. Application of miller's classical path approximation to the calculation of the shape of one-dimensional anharmonic probability distributions Chemical Physics Letters. 132: 311-314. DOI: 10.1016/0009-2614(86)80130-0 |
0.311 |
|
| 1985 |
Stanton JF, Bartell LS. Internuclear probability distributions of anharmonically vibrating polyatomic molecules The Journal of Physical Chemistry. 89: 2544-2549. DOI: 10.1021/J100258A024 |
0.301 |
|
| 1984 |
Bartell LS, Stanton JF. Electron diffraction studies of hot molecules. IV. Asymmetries of nonbonded distribution functions of SF6, SiF4, and CF4 Journal of Chemical Physics. 81: 3792-3795. DOI: 10.1063/1.448179 |
0.355 |
|
| Show low-probability matches. |