| Year |
Citation |
Score |
| 2023 |
Sa'adeh H, Prince KC, Richter R, Vasilyev V, Chong DP, Wang F. A photoelectron spectroscopic investigation of aspirin, paracetamol and ibuprofen in the gas phase. Physical Chemistry Chemical Physics : Pccp. PMID 37016833 DOI: 10.1039/d2cp05810c |
0.38 |
|
| 2023 |
Hill A, Wang F. Intramolecular O···H Hydrogen Bonding of Salicylic Acid: Further Insights from O 1s XPS and H NMR Spectra Using DFT Calculations. The Journal of Physical Chemistry. A. PMID 36939708 DOI: 10.1021/acs.jpca.2c08981 |
0.672 |
|
| 2022 |
Chong DP, Wang F. Dehydrogenation of Ammonia Borane Impacts Valence and Core Electrons: A Photoemission Spectroscopic Study. Acs Omega. 7: 35924-35932. PMID 36249405 DOI: 10.1021/acsomega.2c04632 |
0.337 |
|
| 2021 |
Hill A, Sa'adeh H, Cameron D, Wang F, Trofimov AB, Larionova EY, Richter R, Prince KC. Positional and Conformational Isomerism in Hydroxybenzoic Acid: A Core-Level Study and Comparison with Phenol and Benzoic Acid. The Journal of Physical Chemistry. A. PMID 34752704 DOI: 10.1021/acs.jpca.1c07523 |
0.663 |
|
| 2021 |
Du J, Li Y, Sun Q, Wang Z, Wang F, Chen F, Wang H, Liu Y, Zhou H, Shang G, Chen X, Ding S, Li C, Wu D, Zhang W, et al. Urinary exosomal CD26 is associated with recovery from acute kidney injury in intensive care units: a prospective cohort study. Clinical Chemistry and Laboratory Medicine. PMID 33882205 DOI: 10.1515/cclm-2021-0040 |
0.312 |
|
| 2021 |
Du J, Sun Q, Wang Z, Wang F, Chen F, Wang H, Shang G, Chen X, Ding S, Li C, Wu D, Zhang W, Zhong M, Li Y. Tubular epithelial cells derived-exosomes containing CD26 protects mice against renal ischemia/reperfusion injury by maintaining proliferation and dissipating inflammation. Biochemical and Biophysical Research Communications. 553: 134-140. PMID 33770578 DOI: 10.1016/j.bbrc.2021.03.057 |
0.341 |
|
| 2020 |
Kabir ML, Backler F, Clayton AHA, Wang F. Deducing the Conformational Properties of a Tyrosine Kinase Inhibitor in Solution by Optical Spectroscopy and Computational Chemistry. Frontiers in Chemistry. 8: 596. PMID 32850633 DOI: 10.3389/Fchem.2020.00596 |
0.803 |
|
| 2020 |
Sa'adeh H, Backler FM, Wang F, Piccirillo S, Ciavardini A, Richter R, Coreno M, Prince KC. An Experimental and Theoretical Soft X-ray Study of Nicotine and Related Compounds. The Journal of Physical Chemistry. A. PMID 32336097 DOI: 10.1021/Acs.Jpca.9B11586 |
0.804 |
|
| 2020 |
Backler F, Wang F. Switching On/Off the Intramolecular Hydrogen Bonding of 2-Methoxyphenol Conformers: An NMR Study Australian Journal of Chemistry. 73: 222-229. DOI: 10.1071/Ch19600 |
0.8 |
|
| 2020 |
Wang F, Islam S, Backler F. Probing Intramolecular Interaction of Stereoisomers Using Computational Spectroscopy Australian Journal of Chemistry. 73: 813. DOI: 10.1071/Ch19453 |
0.793 |
|
| 2020 |
Trevorah RM, Tran NTT, Appadoo DRT, Wang F, Chantler CT. Resolution of ferrocene and deuterated ferrocene conformations using dynamic vibrational spectroscopy: Experiment and theory Inorganica Chimica Acta. 506: 119491. DOI: 10.1016/J.Ica.2020.119491 |
0.382 |
|
| 2020 |
Jones DB, Wang F, Winkler DA, Brunger MJ. The electronic structure of bicyclo[2.2.2]octa-2,5-dione Chemical Physics Letters. 757: 137877. DOI: 10.1016/J.Cplett.2020.137877 |
0.381 |
|
| 2019 |
Backler F, Wang F. Impact of intramolecular hydrogen bonding of gallic acid conformers on chemical shift through NMR spectroscopy. Journal of Molecular Graphics & Modelling. 107486. PMID 31744771 DOI: 10.1016/J.Jmgm.2019.107486 |
0.801 |
|
| 2019 |
Yuan Y, Ma Z, Wang F. Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxide. The Journal of Chemical Physics. 151: 184501. PMID 31731863 DOI: 10.1063/1.5124811 |
0.315 |
|
| 2019 |
Arooj Q, Wang F. Switching on optical properties of D-π-A DSSC sensitizers from π-spacers towards machine learning Solar Energy. 188: 1189-1200. DOI: 10.1016/J.Solener.2019.06.044 |
0.322 |
|
| 2019 |
Backler F, Wilson GJ, Wang F. Rational use of ligand to shift the UV–vis spectrum of Ru-complex sensitiser dyes for DSSC applications Radiation Physics and Chemistry. 161: 66-71. DOI: 10.1016/J.Radphyschem.2019.01.012 |
0.773 |
|
| 2018 |
Islam S, Ganesan A, Auchettl R, Plekan O, Acres RG, Wang F, Prince KC. Electronic structure and intramolecular interactions in three methoxyphenol isomers. The Journal of Chemical Physics. 149: 134312. PMID 30292192 DOI: 10.1063/1.5048691 |
0.83 |
|
| 2018 |
Song M, Han L, Chen FF, Wang D, Wang F, Zhang L, Wang ZH, Zhong M, Tang MX, Zhang W. Adipocyte-Derived Exosomes Carrying Sonic Hedgehog Mediate M1 Macrophage Polarization-Induced Insulin Resistance via Ptch and PI3K Pathways. Cellular Physiology and Biochemistry : International Journal of Experimental Cellular Physiology, Biochemistry, and Pharmacology. 48: 1416-1432. PMID 30064125 DOI: 10.1159/000492252 |
0.32 |
|
| 2018 |
Yuan Y, Li J, Li XZ, Wang F. The strengths and limitations of effective centroid force models explored by studying isotopic effects in liquid water. The Journal of Chemical Physics. 148: 184102. PMID 29764147 DOI: 10.1063/1.5027433 |
0.305 |
|
| 2018 |
Ikabata Y, Aiba R, Iwanade T, Nishizawa H, Wang F, Nakai H. Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation. The Journal of Chemical Physics. 148: 184110. PMID 29764133 DOI: 10.1063/1.5019805 |
0.394 |
|
| 2018 |
Wang F, Chen FF, Shang YY, Li Y, Wang ZH, Han L, Li YH, Zhang L, Ti Y, Zhang W, Zhong M. Insulin resistance adipocyte-derived exosomes aggravate atherosclerosis by increasing vasa vasorum angiogenesis in diabetic ApoE mice. International Journal of Cardiology. PMID 29685689 DOI: 10.1016/j.ijcard.2018.04.028 |
0.32 |
|
| 2018 |
Khattab M, Wang F, Clayton AHA. Conformational Plasticity in Tyrosine Kinase Inhibitor-Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations. The Journal of Physical Chemistry. B. PMID 29629773 DOI: 10.1021/Acs.Jpcb.8B01530 |
0.31 |
|
| 2018 |
Chatterjee S, Olsen S, Blanch EW, Wang F. Resveratrol's Hidden Hand: A Route to Optical Detection of Biomolecular Binding. The Journal of Physical Chemistry. B. PMID 29455536 DOI: 10.1021/Acs.Jpcb.7B10278 |
0.315 |
|
| 2017 |
Khattab M, Wang F, Clayton AHA. A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations. Scientific Reports. 7: 16271. PMID 29176733 DOI: 10.1038/S41598-017-16583-Z |
0.327 |
|
| 2017 |
Song M, Chen FF, Li YH, Zhang L, Wang F, Qin RR, Wang ZH, Zhong M, Tang MX, Zhang W, Han L. Trimetazidine restores the positive adaptation to exercise training by mitigating statin-induced skeletal muscle injury. Journal of Cachexia, Sarcopenia and Muscle. PMID 29152896 DOI: 10.1002/jcsm.12250 |
0.333 |
|
| 2017 |
Li J, Wang F. Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References. The Journal of Physical Chemistry. B. PMID 28621540 DOI: 10.1021/Acs.Jpcb.7B04618 |
0.326 |
|
| 2017 |
Wang F, Chatterjee S. Dominant Carbons in Trans and Cis-Resveratrol Isomerization. The Journal of Physical Chemistry. B. PMID 28402662 DOI: 10.1021/Acs.Jpcb.7B02115 |
0.33 |
|
| 2017 |
Khattab M, Wang F, Clayton AHA. Micro-solvation of tyrosine-kinase inhibitor AG1478 explored with fluorescence spectroscopy and computational chemistry Rsc Advances. 7: 31725-31735. DOI: 10.1039/C7Ra04435F |
0.347 |
|
| 2017 |
Dongen MV, Khattab M, Clayton AHA, Wang F. Exploring the optical reporting characteristics of drugs: UV-Vis spectra and conformations of the tyrosine kinase inhibitor SKF86002 New Journal of Chemistry. 41: 14567-14573. DOI: 10.1039/C7Nj03361C |
0.386 |
|
| 2016 |
Best SP, Wang F, Islam MT, Islam S, Appadoo D, Trevorah RM, Chantler CT. Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27734528 DOI: 10.1002/Chem.201603823 |
0.798 |
|
| 2016 |
Arachchilage AP, Wang F, Feyer V, Plekan O, Acres RG, Prince KC. X-Ray Photoemission Spectra and Electronic Structure of Coumarin and Its Derivatives. The Journal of Physical Chemistry. A. PMID 27545582 DOI: 10.1021/Acs.Jpca.6B04914 |
0.424 |
|
| 2016 |
Li J, Wang F. The Effect of Core Correlation on the MP2 Hydration Free Energies of Li(+), Na(+), and K(.) The Journal of Physical Chemistry. B. PMID 27464064 DOI: 10.1021/Acs.Jpcb.6B06102 |
0.385 |
|
| 2016 |
Khattab M, Van Dongen M, Wang F, Clayton AH. Solvatochromism and linear solvation energy relationship of the kinase inhibitor SKF86002. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 170: 226-233. PMID 27450120 DOI: 10.1016/J.Saa.2016.07.027 |
0.317 |
|
| 2016 |
Bourke JD, Islam MT, Best SP, Tran CQ, Wang F, Chantler CT. Conformation Analysis of Ferrocene and Decamethylferrocene via Full-Potential Modelling of XANES and XAFS Spectra. The Journal of Physical Chemistry Letters. PMID 27391765 DOI: 10.1021/Acs.Jpclett.6B01382 |
0.379 |
|
| 2016 |
Khattab M, Wang F, Clayton AH. UV-Vis spectroscopy and solvatochromism of the tyrosine kinase inhibitor AG-1478. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 164: 128-132. PMID 27092736 DOI: 10.1016/J.Saa.2016.04.009 |
0.32 |
|
| 2016 |
Khattab M, Chatterjee S, Clayton AHA, Wang F. Two conformers of a tyrosine kinase inhibitor (AG-1478) disclosed using simulated UV-Vis absorption spectroscopy New Journal of Chemistry. 40: 8296-8304. DOI: 10.1039/C6Nj01909A |
0.395 |
|
| 2016 |
Arooj Q, Wilson GJ, Wang F. Shifting UV-vis absorption spectrum through rational structural modifications of zinc porphyrin photoactive compounds Rsc Advances. 6: 15345-15353. DOI: 10.1039/C5Ra25214H |
0.387 |
|
| 2016 |
Islam MT, Best SP, Bourke JD, Tantau LJ, Tran CQ, Wang F, Chantler CT. Accurate X-ray Absorption Spectra of Dilute Systems: Absolute Measurements and Structural Analysis of Ferrocene and Decamethylferrocene The Journal of Physical Chemistry C. 120: 9399-9418. DOI: 10.1021/Acs.Jpcc.6B00452 |
0.335 |
|
| 2016 |
Chatterjee S, Ahmed M, Wang F. How similar is the electronic structures of β-lactam and alanine? Radiation Physics and Chemistry. 119: 1-8. DOI: 10.1016/J.Radphyschem.2015.09.001 |
0.767 |
|
| 2016 |
Chatterjee S, Wang F. How different is pyrimidine as a core component of DNA base from its diazine isomers: A DFT study? International Journal of Quantum Chemistry. 116: 1836-1845. DOI: 10.1002/Qua.25229 |
0.466 |
|
| 2016 |
Best SP, Wang F, Islam MT, Islam S, Appadoo D, Trevorah RM, Chantler CT. Back Cover: Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene (Chem. Eur. J. 50/2016) Chemistry - a European Journal. 22: 18268-18268. DOI: 10.1002/Chem.201604858 |
0.768 |
|
| 2015 |
Wang F, Islam S, Vasilyev V. Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis. Materials (Basel, Switzerland). 8: 7723-7737. PMID 28793673 DOI: 10.3390/Ma8115419 |
0.808 |
|
| 2015 |
Li J, Wang F. Erratum: "Pairwise-additive force fields for selected aqueous monovalent ions from adaptive force matching" [J. Chem. Phys. 143, 194505 (2015)]. The Journal of Chemical Physics. 143: 219901. PMID 26646893 DOI: 10.1063/1.4936923 |
0.312 |
|
| 2015 |
Feketeová L, Plekan O, Goonewardane M, Ahmed M, Albright AL, White J, O'Hair RA, Horsman MR, Wang F, Prince KC. Photoelectron Spectra and Electronic Structures of the Radiosensitizer Nimorazole and Related Compounds. The Journal of Physical Chemistry. A. 119: 9986-95. PMID 26344652 DOI: 10.1021/Acs.Jpca.5B05950 |
0.755 |
|
| 2015 |
El-Labbad EM, Ismail MA, Abou El Ella DA, Ahmed M, Wang F, Barakat K, Abouzid KA. Discovery of novel peptidomimetics as irreversible CHIKV nsP2 protease inhibitors using quantum mechanical based ligand descriptors". Chemical Biology & Drug Design. PMID 26212366 DOI: 10.1111/Cbdd.12621 |
0.709 |
|
| 2015 |
Ahmed M, Wang F, Levin A, Le C, Eltayebi Y, Houghton M, Tyrrell L, Barakat K. Targeting the Achilles heel of the hepatitis B virus: a review of current treatments against covalently closed circular DNA. Drug Discovery Today. 20: 548-61. PMID 25622780 DOI: 10.1016/J.Drudis.2015.01.008 |
0.661 |
|
| 2015 |
Wang F, Islam S, Vasilyev V. Ferrocene orientation determined intramolecular interactions using energy decomposition analysis Materials. 8: 7723-7737. DOI: 10.3390/ma8115419 |
0.81 |
|
| 2015 |
Chatterjee S, Wang F. Electronic structures of hexane isomers studied using quantum mechanics and graph theory Journal of Theoretical and Computational Chemistry. 14: 1550014. DOI: 10.1142/S0219633615500145 |
0.414 |
|
| 2015 |
Yang Z, Duffy P, Zhu Q, Takahashi M, Wang F. Theoretical study of valence orbital response to guanine tautomerization in coordinate and momentum spaces Journal of Physics B: Atomic, Molecular and Optical Physics. 48. DOI: 10.1088/0953-4075/48/20/205101 |
0.38 |
|
| 2015 |
Wang F, Ahmed M. Sitting above the maze: recent model discoveries in molecular science Molecular Simulation. 41: 205-229. DOI: 10.1080/08927022.2014.923570 |
0.726 |
|
| 2015 |
Islam S, Wang F. The d-electrons of Fe in ferrocene: the excess orbital energy spectrum (EOES) Rsc Advances. 5: 11933-11941. DOI: 10.1039/C4Ra14506B |
0.805 |
|
| 2015 |
Chen H, Golder MR, Wang F, Doorn SK, Jasti R, Tretiak S, Swan AK. Raman-active modes of even-numbered cycloparaphenylenes: Comparisons between experiments and density functional theory (DFT) calculations with group theory arguments Journal of Physical Chemistry C. 119: 2879-2887. DOI: 10.1021/Jp5117195 |
0.326 |
|
| 2014 |
Ahmed M, Wang F, Acres RG, Prince KC. Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment. The Journal of Physical Chemistry. A. 118: 3645-54. PMID 24821292 DOI: 10.1021/Jp500308J |
0.781 |
|
| 2014 |
Mohammadi N, Wang F. First-principles study of Carbz-PAHTDDT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells. Journal of Molecular Modeling. 20: 2177-2177. PMID 24595721 DOI: 10.1007/S00894-014-2177-9 |
0.357 |
|
| 2014 |
Liu Z, Xiong D, Xu X, Arooj Q, Wang H, Yin L, Li W, Wu H, Zhao Z, Chen W, Wang M, Wang F, Cheng YB, He H. Modulated charge injection in p-type dye-sensitized solar cells using fluorene-based light absorbers. Acs Applied Materials & Interfaces. 6: 3448-54. PMID 24521135 DOI: 10.1021/Am405610B |
0.312 |
|
| 2014 |
Sadek MM, Serrya RA, Kafafy AHN, Ahmed M, Wang F, Abouzid KAM. Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents Journal of Enzyme Inhibition and Medicinal Chemistry. 29: 215-222. PMID 23402383 DOI: 10.3109/14756366.2013.765417 |
0.681 |
|
| 2014 |
Wang F, Ganesan A. Fragment based electronic structural analysis of L-phenylalanine using calculated ionization spectroscopy and dual space analysis Rsc Advances. 4: 60597-60608. DOI: 10.1039/C4Ra09146A |
0.389 |
|
| 2014 |
Ganesan A, Mohammadi N, Wang F. From building blocks of proteins to drugs: A quantum chemical study on structure-property relationships of phenylalanine, tyrosine and dopa Rsc Advances. 4: 8617-8626. DOI: 10.1039/C3Ra47364C |
0.423 |
|
| 2014 |
Yang Z, Wang F. Differentiation of alkane isomers through binding energy spectra and total momentum cross sections New Journal of Chemistry. 38: 1031-1039. DOI: 10.1039/C3Nj01438J |
0.401 |
|
| 2014 |
Ma X, Wang F. Calculations of gamma-ray spectral profiles of linear alkanes in the positron annihilation process Journal of Electron Spectroscopy and Related Phenomena. 196: 146-151. DOI: 10.1016/J.Elspec.2014.01.012 |
0.363 |
|
| 2014 |
Chen H, Golder MR, Wang F, Jasti R, Swan AK. Raman spectroscopy of carbon nanohoops Carbon. 67: 203-213. DOI: 10.1016/J.Carbon.2013.09.082 |
0.32 |
|
| 2014 |
Yang Z, Pang W, Duffy P, Wang F. Valence orbital response to methylation of uracil International Journal of Quantum Chemistry. 114: 314-320. DOI: 10.1002/Qua.24562 |
0.353 |
|
| 2013 |
Ganesan A, Dreyer J, Wang F, Akola J, Larrucea J. Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment. Journal of Molecular Graphics & Modelling. 45: 180-91. PMID 24056305 DOI: 10.1016/J.Jmgm.2013.08.015 |
0.323 |
|
| 2013 |
Ahmed M, Sadek MM, Abouzid KA, Wang F. In silico design: Extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2 Journal of Molecular Graphics and Modelling. 44: 220-231. PMID 23911931 DOI: 10.1016/J.Jmgm.2013.06.004 |
0.711 |
|
| 2013 |
Ahmed M, Sadek MM, Serrya RA, Kafafy AHN, Abouzid KA, Wang F. Assessment of new anti-HER2 ligands using combined docking, QM/MM scoring and MD simulation Journal of Molecular Graphics and Modelling. 40: 91-98. PMID 23353584 DOI: 10.1016/J.Jmgm.2012.12.001 |
0.691 |
|
| 2013 |
Mohammadi N, Mahon PJ, Wang F. Toward rational design of organic dye sensitized solar cells (DSSCs): an application to the TA-St-CA dye. Journal of Molecular Graphics & Modelling. 40: 64-71. PMID 23353583 DOI: 10.1016/J.Jmgm.2012.12.005 |
0.343 |
|
| 2013 |
Ma X, Wang F. Docking Positrophilic Electrons into Molecular Attractive Potentials of Fluorinated Methanes Journal of the Physical Society of Japan. 82: 104301. DOI: 10.7566/Jpsj.82.104301 |
0.338 |
|
| 2013 |
Ahmed M, Bird S, Wang F, Palombo EA. In Silico Investigation of Lactone and Thiolactone Inhibitors in Bacterial Quorum Sensing Using Molecular Modeling International Journal of Chemistry. 5: 9. DOI: 10.5539/Ijc.V5N4P9 |
0.724 |
|
| 2013 |
Ahmed M, Yu A, Wang F. DFT Study on the Conformational and Vibrational Properties of 3'-Deoxycytidine and Its Analogues International Journal of Chemistry. 5: 68. DOI: 10.5539/Ijc.V5N2P68 |
0.778 |
|
| 2013 |
Ahmed M, Wang F. Vibrational Spectroscopy and Intramolecular Hydrogen Bond Network of (Didehydro)Deoxycytidine Nucleosides Current Physical Chemistry. 3: 166-178. DOI: 10.2174/1877946811303020007 |
0.721 |
|
| 2013 |
Ganesan A, Brunger MJ, Wang F. A study of aliphatic amino acids using simulated vibrational circular dichroism and Raman optical activity spectra European Physical Journal D. 67. DOI: 10.1140/Epjd/E2013-40376-X |
0.333 |
|
| 2013 |
Zhang CL, Hong XH, Wang F, Wu Y, Wang JG. Publisher's Note: Theoretical investigation of He 2+ -Ar collisions in the energy range of 4-300 keV/amu [Phys. Rev. A 87, 032711 (2013)] Physical Review A. 87: 39910. DOI: 10.1103/Physreva.87.039910 |
0.307 |
|
| 2013 |
Zhang CL, Hong HX, Wang F, Wu Y, Wang JG. Theoretical investigation of He 2+ -Ar collisions in the energy range of 4-300 keV/amu Physical Review A. 87: 32711. DOI: 10.1103/Physreva.87.032711 |
0.309 |
|
| 2013 |
Iakhnenko M, Feyer V, Tsud N, Plekan O, Wang F, Ahmed M, Slobodyanyuk OV, Acres RG, Matolin V, Prince KC. Adsorption of cytosine and AZA derivatives of cytidine on Au single crystal surfaces Journal of Physical Chemistry C. 117: 18423-18433. DOI: 10.1021/Jp404821T |
0.737 |
|
| 2013 |
Ma X, Wang F. Gamma-ray spectra of hexane (C6H14) in positron–electron annihilation process Radiation Physics and Chemistry. 89: 14-19. DOI: 10.1016/J.Radphyschem.2013.03.029 |
0.331 |
|
| 2013 |
Ma X, Wang F. Gamma-ray spectra of methane in the positron–electron annihilationprocess Radiation Physics and Chemistry. 85: 59-63. DOI: 10.1016/J.Radphyschem.2012.11.008 |
0.409 |
|
| 2013 |
Song Y, Wang F. Accurate ranking of CH4·(H2O)20 clusters with the density functional theory supplemental potential approach Theoretical Chemistry Accounts. 132: 1324. DOI: 10.1007/S00214-012-1324-6 |
0.348 |
|
| 2013 |
Yang Z, Duffy P, Wang F. Inheritance and correlation of nucleic acid pyrimidine bases International Journal of Quantum Chemistry. 113: 2312-2318. DOI: 10.1002/Qua.24453 |
0.384 |
|
| 2012 |
Wickrama Arachchilage AP, Feyer V, Plekan O, Iakhnenko M, Prince KC, Wang F. Valence structures of aromatic bioactive compounds: a combined theoretical and experimental study. Journal of Synchrotron Radiation. 19: 773-81. PMID 22898957 DOI: 10.1107/S0909049512026489 |
0.454 |
|
| 2012 |
Ahmed M, Ganesan A, Wang F, Feyer V, Plekan O, Prince KC. Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid. The Journal of Physical Chemistry. A. 116: 8653-60. PMID 22799571 DOI: 10.1021/Jp302950Y |
0.755 |
|
| 2012 |
Bellm SM, Builth-Williams JD, Jones DB, Chaluvadi H, Madison DH, Ning CG, Wang F, Ma XG, Lohmann B, Brunger MJ. Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol. The Journal of Chemical Physics. 136: 244301. PMID 22755568 DOI: 10.1063/1.4729466 |
0.342 |
|
| 2012 |
Wickrama Arachchilage AP, Wang F, Feyer V, Plekan O, Prince KC. Photoelectron spectra and structures of three cyclic dipeptides: PhePhe, TyrPro, and HisGly. The Journal of Chemical Physics. 136: 124301. PMID 22462851 DOI: 10.1063/1.3693763 |
0.415 |
|
| 2012 |
Chantler CT, Rae NA, Islam MT, Best SP, Yeo J, Smale LF, Hester J, Mohammadi N, Wang F. Stereochemical analysis of ferrocene and the uncertainty of fluorescence XAFS data. Journal of Synchrotron Radiation. 19: 145-58. PMID 22338673 DOI: 10.1107/S0909049511056275 |
0.325 |
|
| 2012 |
Cappillino PJ, McNally JS, Wang F, Caradonna JP. The effect of varying carboxylate ligation on the electronic environment of N2O(x) (x = 1-3) nonheme iron: a DFT analysis. Dalton Transactions (Cambridge, England : 2003). 41: 474-83. PMID 22042235 DOI: 10.1039/C1Dt11199J |
0.356 |
|
| 2012 |
Wang F, Ma XG, Selvam L, Gribakin GF, Surko CM. Chemical structural effects on γ-ray spectra of positron annihilation in fluorobenzenes The European Physical Journal D. 66. DOI: 10.1140/Epjd/E2012-20741-1 |
0.816 |
|
| 2012 |
Wang F, Ma X, Selvam L, Gribakin G, Surko CM. Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules New Journal of Physics. 14: 085022. DOI: 10.1088/1367-2630/14/8/085022 |
0.816 |
|
| 2012 |
Green DG, Saha S, Wang F, Gribakin GF, Surko CM. Effect of positron–atom interactions on the annihilation gamma spectra of molecules New Journal of Physics. 14: 035021. DOI: 10.1088/1367-2630/14/3/035021 |
0.772 |
|
| 2012 |
Wang F, Pang W, Duffy P. Performance assessment of density functional theory-based models using orbital momentum distributions Molecular Simulation. 38: 468-480. DOI: 10.1080/08927022.2011.647816 |
0.352 |
|
| 2012 |
Mohammadi N, Ganesan A, Chantler CT, Wang F. Differentiation of ferrocene D 5d and D 5h conformers using IR spectroscopy Journal of Organometallic Chemistry. 713: 51-59. DOI: 10.1016/J.Jorganchem.2012.04.009 |
0.352 |
|
| 2012 |
Pinnick ER, Calderon CE, Rusnak AJ, Wang F. Achieving fast convergence of ab initio free energy perturbation calculations with the adaptive force-matching method Theoretical Chemistry Accounts. 131: 1-11. DOI: 10.1007/S00214-012-1146-6 |
0.343 |
|
| 2011 |
Hirst ES, Wang F, Jasti R. Theoretical analysis of [5.7](n)cyclacenes: closed-shell cyclacene isomers. Organic Letters. 13: 6220-3. PMID 22050197 DOI: 10.1021/Ol202670X |
0.345 |
|
| 2011 |
Ganesan A, Wang F, Brunger M, Prince K. Effects of alkyl side chains on properties of aliphatic amino acids probed using quantum chemical calculations. Journal of Synchrotron Radiation. 18: 733-42. PMID 21862853 DOI: 10.1107/S0909049511029499 |
0.387 |
|
| 2011 |
Selvam L, Chen FF, Wang F. Methylation of zebularine investigated using density functional theory calculations. Journal of Computational Chemistry. 32: 2077-83. PMID 21541952 DOI: 10.1002/Jcc.21785 |
0.779 |
|
| 2011 |
Ganesan A, Wang F, Falzon C. Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules. Journal of Computational Chemistry. 32: 525-35. PMID 20806261 DOI: 10.1002/Jcc.21639 |
0.401 |
|
| 2011 |
Akin-Ojo O, Wang F. Effects of the dispersion interaction in liquid water Chemical Physics Letters. 513: 59-62. DOI: 10.1016/J.Cplett.2011.07.064 |
0.307 |
|
| 2011 |
Arachchilage APW, Wang Y, Wang F. A quantum mechanical study of bioactive 3-chloro-2,5-dihydroxybenzyl alcohol through substitutions Theoretical Chemistry Accounts. 130: 965-979. DOI: 10.1007/S00214-011-1040-7 |
0.432 |
|
| 2010 |
Arachchilage AP, Wang F, Feyer V, Plekan O, Prince KC. Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra. The Journal of Chemical Physics. 133: 174319. PMID 21054044 DOI: 10.1063/1.3499740 |
0.437 |
|
| 2010 |
Song Y, Akin-Ojo O, Wang F. Correcting for dispersion interaction and beyond in density functional theory through force matching. The Journal of Chemical Physics. 133: 174115. PMID 21054014 DOI: 10.1063/1.3503656 |
0.345 |
|
| 2010 |
Green DG, Saha S, Wang F, Gribakin GF, Surko CM. Calculation of Gamma Spectra for Positron Annihilation on Molecules Materials Science Forum. 666: 21-24. DOI: 10.4028/Www.Scientific.Net/Msf.666.21 |
0.757 |
|
| 2010 |
Wang F, Selvam L, Gribakin GF, Surko CM. Electron shell contributions to gamma-ray spectra of positron annihilation in noble gases Journal of Physics B: Atomic, Molecular and Optical Physics. 43: 165207. DOI: 10.1088/0953-4075/43/16/165207 |
0.8 |
|
| 2010 |
Tierney HL, Calderon CE, Baber AE, Sykes ECH, Wang F. Understanding the rotational mechanism of a single molecule: STM and DFT investigations of dimethyl sulfide molecular rotors on Au(111) Journal of Physical Chemistry C. 114: 3152-3155. DOI: 10.1021/Jp911083H |
0.362 |
|
| 2010 |
Ganesan A, Brunger M, Wang F. Influence of functional groups on the Cα–Cβ chain of l-phenylalanine and its derivatives Nuclear Instruments and Methods in Physics Research Section a: Accelerators, Spectrometers, Detectors and Associated Equipment. 619: 143-146. DOI: 10.1016/J.Nima.2010.02.122 |
0.371 |
|
| 2010 |
Selvam L, Chen F, Wang F. Solvent effects on blue shifted improper hydrogen bond of C–H⋯O in deoxycytidine isomers Chemical Physics Letters. 500: 327-333. DOI: 10.1016/J.Cplett.2010.10.033 |
0.789 |
|
| 2010 |
Chen F, Selvam L, Wang F. Blue shifted intramolecular C−H···O improper hydrogen bonds in conformers of zidovudine Chemical Physics Letters. 493: 358-363. DOI: 10.1016/J.Cplett.2010.05.057 |
0.801 |
|
| 2010 |
Pinnick ER, Erramilli S, Wang F. The potential of mean force of nitrous oxide in a 1,2-dimyristoylphosphatidylcholine lipid bilayer Chemical Physics Letters. 489: 96-98. DOI: 10.1016/J.Cplett.2010.02.047 |
0.304 |
|
| 2009 |
Ganesan A, Wang F. Intramolecular interactions of L-phenylalanine revealed by inner shell chemical shift. The Journal of Chemical Physics. 131: 044321. PMID 19655881 DOI: 10.1063/1.3187033 |
0.368 |
|
| 2009 |
Selvam L, Vasilyev V, Wang F. Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs. The Journal of Physical Chemistry. B. 113: 11496-504. PMID 19637931 DOI: 10.1021/Jp901678G |
0.781 |
|
| 2009 |
Chen FF, Wang F. Electronic structure of the azide group in 3 cent-azido-3 cent-deoxythymidine (AZT) compared to small azide compounds. Molecules (Basel, Switzerland). 14: 2656-68. PMID 19633631 DOI: 10.3390/Molecules14072656 |
0.561 |
|
| 2009 |
Zhu Q, Wang F, Ivanova E. Impact of ketone and amino on the inner shell of guanine. Journal of Synchrotron Radiation. 16: 545-52. PMID 19535870 DOI: 10.1107/S0909049509017063 |
0.371 |
|
| 2009 |
Akin-Ojo O, Wang F. Improving the point-charge description of hydrogen bonds by adaptive force matching. The Journal of Physical Chemistry. B. 113: 1237-40. PMID 19175338 DOI: 10.1021/Jp809324X |
0.301 |
|
| 2009 |
Thompson A, Saha S, Wang F, Tsuchimochi T, Nakata A, Imamura Y, Nakai H. Density Functional Study on Core Ionization Spectra of Cytidine and Its Fragments Bulletin of the Chemical Society of Japan. 82: 187-195. DOI: 10.1246/Bcsj.82.187 |
0.733 |
|
| 2008 |
Wang F, Stuart SJ, Latour RA. Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics. Biointerphases. 3: 9-18. PMID 19768127 DOI: 10.1116/1.2840054 |
0.319 |
|
| 2008 |
Wang F, Zhu Q, Ivanova E. Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine. Journal of Synchrotron Radiation. 15: 624-31. PMID 18955770 DOI: 10.1107/S090904950802387X |
0.32 |
|
| 2008 |
Ning CG, Huang YR, Zhang SF, Deng JK, Liu K, Luo ZH, Wang F. Experimental and theoretical electron momentum spectroscopic study of the valence electronic structure of tetrahydrofuran under pseudorotation. Journal of Physical Chemistry A. 112: 11078-11087. PMID 18842033 DOI: 10.1021/Jp8038658 |
0.431 |
|
| 2008 |
Duffy P, Sordo JA, Wang F. Valence orbital response to pseudorotation of tetrahydrofuran: a snapshot using dual space analysis. The Journal of Chemical Physics. 128: 125102. PMID 18376977 DOI: 10.1063/1.2838852 |
0.403 |
|
| 2008 |
Saha S, Wang F, MacNaughton JB, Moewes A, Chong DP. The attachment of amino fragment to purine: inner-shell structures and spectra. Journal of Synchrotron Radiation. 15: 151-7. PMID 18296781 DOI: 10.1107/S0909049508000630 |
0.76 |
|
| 2008 |
Wang F, Izvekov S, Voth GA. Unusual "amphiphilic" association of hydrated protons in strong acid solution. Journal of the American Chemical Society. 130: 3120-6. PMID 18275191 DOI: 10.1021/Ja078106I |
0.341 |
|
| 2008 |
Wu Y, Chen H, Wang F, Paesani F, Voth GA. An improved multistate empirical valence bond model for aqueous proton solvation and transport. The Journal of Physical Chemistry. B. 112: 467-82. PMID 17999484 DOI: 10.1021/Jp076658H |
0.312 |
|
| 2008 |
Li JQ, Li XY, Wang F. A Theoretical Study On Dual Fluorescence Of 4-Dimethylaminopyridine By Polarizable Continuum Model Journal of Theoretical and Computational Chemistry. 7: 821-832. DOI: 10.1142/S0219633608004143 |
0.302 |
|
| 2008 |
Nixon KL, Lawrance WD, Jones DB, Euripidies P, Saha S, Wang F, Brunger MJ. An (e,2e) coincidence study of formic acid monomer and dimer Chemical Physics Letters. 451: 18-24. DOI: 10.1016/J.Cplett.2007.11.070 |
0.736 |
|
| 2007 |
Wang F. Unsaturated didehydrodeoxycytidine drugs. 1. Impact of C=C positions in the sugar ring. The Journal of Physical Chemistry. B. 111: 9628-33. PMID 17658790 DOI: 10.1021/jp072014y |
0.331 |
|
| 2007 |
Yang T, Su G, Ning C, Deng J, Wang F, Zhang S, Ren X, Huang Y. New diagnostic of the most populated conformer of tetrahydrofuran in the gas phase. Journal of Physical Chemistry A. 111: 4927-4933. PMID 17511427 DOI: 10.1021/Jp066299A |
0.41 |
|
| 2007 |
Wang F, Pang W. Valence orbital response to conformers of n-butane Molecular Simulation. 33: 1173-1185. DOI: 10.1080/08927020701504137 |
0.452 |
|
| 2007 |
Wang F. Unsaturated didehydrodeoxycytidine drugs. 1. Impact of C=C positions in the sugar ring Journal of Physical Chemistry B. 111: 9628-9633. DOI: 10.1021/Jp072014Y |
0.404 |
|
| 2006 |
Falzon CT, Wang F, Pang W. Orbital signatures of methyl in L-alanine Journal of Physical Chemistry B. 110: 9713-9719. PMID 16686523 DOI: 10.1021/Jp060805E |
0.305 |
|
| 2006 |
Fonseca Guerra C, Bickelhaupt FM, Saha S, Wang F. Adenine tautomers: relative stabilities, ionization energies, and mismatch with cytosine. The Journal of Physical Chemistry. A. 110: 4012-20. PMID 16539424 DOI: 10.1021/Jp057275R |
0.744 |
|
| 2006 |
Jones DB, Wang F, Winkler DA, Brunger MJ. Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis Biophysical Chemistry. 121: 105-120. PMID 16464529 DOI: 10.1016/J.Bpc.2005.12.006 |
0.428 |
|
| 2006 |
Falzon CT, Chong DP, Wang F. Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory. Journal of Computational Chemistry. 27: 163-173. PMID 16312016 DOI: 10.1002/Jcc.20330 |
0.319 |
|
| 2006 |
Saha S, Wang F, Guerra CF, Bickelhaupt FM. Outer valence orbital response to proton positions in prototropic tautomers of adenine Journal of Computational Methods in Sciences and Engineering. 6: 251-267. DOI: 10.3233/Jcm-2006-65-601 |
0.751 |
|
| 2006 |
Jones DB, Bolorizadeh MA, Brunger MJ, Saha S, Wang F, Gleiter R, Bueber J, Winkler DA. An experimental and theoretical study into the valence electronic structure of bicyclo[2.2.1]hepta-2,5-dione Journal of Physics B: Atomic, Molecular and Optical Physics. 39: 2411-2429. DOI: 10.1088/0953-4075/39/11/008 |
0.757 |
|
| 2006 |
Saha S, Wang F, Brunger MJ. Intramolecular proton transfer in adenine imino tautomers Molecular Simulation. 32: 1261-1270. DOI: 10.1080/08927020601067557 |
0.738 |
|
| 2006 |
Downton MT, Wang F. Differentiation of adenine non-planarity in valence molecular orbitals Molecular Simulation. 32: 667-673. DOI: 10.1080/08927020600860911 |
0.304 |
|
| 2006 |
Wang F, Pang W, Huang M. Valence space electron momentum spectroscopy of diborane Journal of Electron Spectroscopy and Related Phenomena. 151: 215-223. DOI: 10.1016/J.Elspec.2006.01.003 |
0.382 |
|
| 2006 |
Su GL, Ning CG, Deng JK, Ren XG, Zhang SF, Huang YR, Yang TC, Wang F. Direct observations of the chemical shift and electron momentum distributions of core shell in N2O Chemical Physics Letters. 422: 308-312. DOI: 10.1016/J.Cplett.2006.02.088 |
0.376 |
|
| 2005 |
Petersen MK, Wang F, Blake NP, Metiu H, Voth GA. Excess proton solvation and delocalization in a hydrophilic pocket of the proton conducting polymer membrane nafion. The Journal of Physical Chemistry. B. 109: 3727-30. PMID 16851417 DOI: 10.1021/Jp044535G |
0.305 |
|
| 2005 |
Knippenberg S, Nixon KL, Mackenzie-Ross H, Brunger MJ, Wang F, Deleuze MS, François JP, Winkler DA. Investigation into the valence electronic structure of norbornene using electron momentum spectroscopy, Green's function, and density functional theories. The Journal of Physical Chemistry. A. 109: 9324-40. PMID 16833274 DOI: 10.1021/Jp058158Z |
0.403 |
|
| 2005 |
Saha S, Wang F, Falzon CT, Brunger MJ. Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals. The Journal of Chemical Physics. 123: 124315. PMID 16392490 DOI: 10.1063/1.2034467 |
0.774 |
|
| 2005 |
Falzon CT, Wang F. Understanding glycine conformation through molecular orbitals Journal of Chemical Physics. 123: 214307. PMID 16356048 DOI: 10.1063/1.2133727 |
0.4 |
|
| 2005 |
Wang F, Downton MT, Kidwani N. Adenine Tautomer Electronic Structural Signatures Studied Using Dual Space Analysis Journal of Theoretical and Computational Chemistry. 4: 247-264. DOI: 10.1142/S021963360500143X |
0.353 |
|
| 2005 |
Wang F, Voth GA. A linear-scaling self-consistent generalization of the multistate empirical valence bond method for multiple excess protons in aqueous systems Journal of Chemical Physics. 122. DOI: 10.1063/1.1881092 |
0.308 |
|
| 2005 |
Wang F. The electronic structural information from core orbitals of norbornadiene, norbornene and norbornane Journal of Molecular Structure: Theochem. 728: 31-42. DOI: 10.1016/J.Theochem.2005.01.058 |
0.423 |
|
| 2004 |
Knippenberg S, Nixon KL, Brunger MJ, Maddern T, Campbell L, Trout N, Wang F, Newell WR, Deleuze MS, Francois JP, Winkler DA. Norbornane: an investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories. The Journal of Chemical Physics. 121: 10525-41. PMID 15549936 DOI: 10.1063/1.1799014 |
0.417 |
|
| 2004 |
Deng JK, Li GQ, Wang F, Su GL, Ning CG, Zhang T, Ren XG, Wang Y, Zheng Y. The outer valance orbital electron densities of cyclopentane by binary (e,2e) spectroscopy. Journal of Chemical Physics. 120: 10009-10014. PMID 15268021 DOI: 10.1063/1.1737296 |
0.411 |
|
| 2004 |
Sindelka M, Spirko V, Jungwirth P, Wang F, Mahalakshmi S, Jordan KD. Calculation of the photodetachment cross sections of the HCN- and HNC- dipole-bound anions as described by a one-electron Drude model. The Journal of Chemical Physics. 121: 1824-9. PMID 15260733 DOI: 10.1063/1.1766296 |
0.301 |
|
| 2004 |
Wang F, Downton MT. Inner valence shell bonding mechanism of n-butane studied using orbital momentum distributions of its conformational isomers Journal of Physics B. 37: 557-569. DOI: 10.1088/0953-4075/37/3/003 |
0.417 |
|
| 2004 |
Wang F. Molecular orbitals of methane: Symmetry or hybridization? Journal of Molecular Structure: Theochem. 678: 105-111. DOI: 10.1016/J.Theochem.2004.02.042 |
0.352 |
|
| 2004 |
Wang F, Brunger MJ, Winkler DA. Structural impact on the methano bridge in norbornadiene, norbornene and norbornane Journal of Physics and Chemistry of Solids. 65: 2041-2054. DOI: 10.1016/J.Jpcs.2004.08.018 |
0.41 |
|
| 2004 |
Downton MT, Wang F. Chemical bonding mechanisms of n-butane probed by the core orbitals of conformational isomers in r-space and k-space Chemical Physics Letters. 384: 144-149. DOI: 10.1016/J.Cplett.2003.12.020 |
0.319 |
|
| 2003 |
Jordan KD, Wang F. Theory of dipole-bound anions. Annual Review of Physical Chemistry. 54: 367-96. PMID 12626734 DOI: 10.1146/Annurev.Physchem.54.011002.103851 |
0.326 |
|
| 2003 |
Nixon KL, Wang F, Campbell L, Maddern T, Winkler D, Gleiter R, Loeb P, Weigold E, Brunger MJ. An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione Journal of Physics B: Atomic, Molecular and Optical Physics. 36: 3155-3171. DOI: 10.1088/0953-4075/36/14/316 |
0.44 |
|
| 2003 |
Wang F. Assessment of Quantum Mechanical Models Based on Resolved Orbital Momentum Distributions of n-Butane in the Outer Valence Shell Journal of Physical Chemistry A. 107: 10199-10207. DOI: 10.1021/Jp0363904 |
0.366 |
|
| 2003 |
Wang F. The invariant character of two-body binding potentials Journal of Molecular Structure: Theochem. 664: 83-89. DOI: 10.1016/J.Theochem.2003.07.004 |
0.341 |
|
| 2003 |
Wang F, Brunger MJ, McCarthy IE, Winkler DA. Exploring the electronic structure of 2,6-stelladione from momentum space I: The p-dominant molecular orbitals in the outer valence shell Chemical Physics Letters. 382: 217-225. DOI: 10.1016/J.Cplett.2003.09.151 |
0.386 |
|
| 2002 |
Wang F, Jordan KD. Application of a Drude model to the binding of excess electrons to water clusters Journal of Chemical Physics. 116: 6973-6981. DOI: 10.1063/1.1461811 |
0.35 |
|
| 2002 |
Mackenzie-Ross H, Brunger MJ, Wang F, Adcock W, Maddern T, Campbell L, Newell WR, McCarthy IE, Weigold E, Appelbe B, Winkler DA. Comprehensive Experimental and Theoretical Study into the Complete Valence Electronic Structure of Norbornadiene The Journal of Physical Chemistry A. 106: 9573-9581. DOI: 10.1021/Jp021338D |
0.392 |
|
| 2002 |
MacKenzie-Ross H, Brunger M, Wang F, Adcock W, Trout N, McCarthy I, Winkler D. Definitive confirmation for through-space bond dominance in the outermost π-orbitals of norbornadiene Journal of Electron Spectroscopy and Related Phenomena. 123: 389-395. DOI: 10.1016/S0368-2048(02)00035-X |
0.381 |
|
| 2001 |
Wang F, Larkins FP, Brunger MJ, Michalewicz MT, Winkler DA. Core molecular orbital contribution to N2O isomerization as studied using theoretical electron momentum spectroscopy. Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 57: 9-15. PMID 11209870 DOI: 10.1016/S1386-1425(00)00335-8 |
0.39 |
|
| 2001 |
Wang F, Jordan KD. A Drude-model approach to dispersion interactions in dipole-bound anions Journal of Chemical Physics. 114: 10717-10724. DOI: 10.1063/1.1376630 |
0.377 |
|
| 2001 |
Wang F, Brunger MJ, Larkins FP. Valence Orbital Electron Momentum Spectroscopy For N2O Journal of Physical Chemistry A. 105: 1254-1259. DOI: 10.1021/Jp0031909 |
0.321 |
|
| 2001 |
Harcourt RD, Wang F, Klapötke TM. Valence bond and molecular orbital studies of three N2O isomers, and valence bond representations for some azide decompositions Journal of Molecular Modeling. 7: 271-277. DOI: 10.1007/S008940100028 |
0.393 |
|
| 2001 |
Wang F, Mackenzie-Ross H, Winkler DA, McCarthy IE, Campbell L, Brunger MJ. A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene Journal of Computational Chemistry. 22: 1321-1333. DOI: 10.1002/Jcc.1090 |
0.393 |
|
| 2000 |
Wang F, McCourt FRW, Le Roy RJ. Dipole moment surfaces and the mid- and far-IR spectra of N2-Ar Journal of Chemical Physics. 113: 98-106. DOI: 10.1063/1.481778 |
0.621 |
|
| 2000 |
Wang F, Harcourt RD. Electronic Structure Study of the N2O Isomers Using Post-Hartree−Fock and Density Functional Theory Calculations Journal of Physical Chemistry A. 104: 1304-1310. DOI: 10.1021/Jp9930088 |
0.431 |
|
| 2000 |
Wang F, Polavarapu PL. Vibrational circular dichroism: Predominant conformations and intermolecular interactions in (R)-(-)-2-butanol Journal of Physical Chemistry A. 104: 10683-10687. DOI: 10.1021/Jp0022914 |
0.304 |
|
| 2000 |
Adcock W, Brunger MJ, McCarthy IE, Michalewicz MT, von Niessen W, Wang F, Weigold E, Winkler DA. A Density Functional Theory and Electron Momentum Spectroscopy Study into the Complete Valence Electronic Structure of Cubane Journal of the American Chemical Society. 122: 3892-3900. DOI: 10.1021/Ja9940423 |
0.348 |
|
| 2000 |
Wang F, McCourt FRW, Nagy-Felsobuki EIV. An Eckart–Watson Hamiltonian for linear molecules in the rectilinear displacement w-coordinates and an application to HCN Journal of Molecular Structure-Theochem. 497: 227-240. DOI: 10.1016/S0166-1280(99)00373-5 |
0.324 |
|
| 1999 |
Winkler DA, Michalewicz MT, Wang F, Brunger MJ. An Electron Momentum Spectroscopy And Density Functional Theory Investigation Into The Complete Valence Electronic Structure Of Ethylene Oxide Journal of Physics B. 32: 3239-3253. DOI: 10.1088/0953-4075/32/13/313 |
0.369 |
|
| 1998 |
Wang F, Larkins FP. Influence of ground-state geometry on carbon monoxide x-ray emission spectral profiles Journal of Physics B. 31: 3513-3525. DOI: 10.1088/0953-4075/31/16/006 |
0.322 |
|
| 1996 |
Wang F, McCourt FRW. Potential energy surface for and pure rotational spectra of isotopomeric Cl2–Ar van der Waals complexes Journal of Chemical Physics. 104: 9304-9312. DOI: 10.1063/1.471676 |
0.403 |
|
| 1992 |
Wang F, Searles DJ, Nagy-Felsobuki EIV. Ab initio rotationally resolved infrared spectrum of potassium-lithium (K2Li+) The Journal of Physical Chemistry. 96: 6158-6165. DOI: 10.1021/J100194A014 |
0.376 |
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