| Year |
Citation |
Score |
| 2024 |
Li F, Ackloo S, Arrowsmith CH, Ban F, Barden CJ, Beck H, Beránek J, Berenger F, Bolotokova A, Bret G, Breznik M, Carosati E, Chau I, Chen Y, Cherkasov A, ... ... Jensen JH, et al. CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein. Journal of Chemical Information and Modeling. PMID 39499532 DOI: 10.1021/acs.jcim.4c01267 |
0.561 |
|
| 2018 |
Garner MH, Koerstz M, Jensen JH, Solomon GC. The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-Molecule Insulators. The Journal of Physical Chemistry Letters. 6941-6947. PMID 30484655 DOI: 10.1021/Acs.Jpclett.8B03432 |
0.31 |
|
| 2018 |
Kromann JC, Steinmann C, Jensen JH. Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods. The Journal of Chemical Physics. 149: 104102. PMID 30219007 DOI: 10.1063/1.5047273 |
0.652 |
|
| 2018 |
Kromann JC, Jensen JH, Kruszyk M, Jessing M, Jørgensen M. Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactions. Chemical Science. 9: 660-665. PMID 29629133 DOI: 10.1039/C7Sc04156J |
0.373 |
|
| 2018 |
Fedorov DG, Kromann JC, Jensen JH. Empirical corrections and pair interaction energies in the fragment molecular orbital method Chemical Physics Letters. 706: 328-333. DOI: 10.1016/J.Cplett.2018.06.025 |
0.371 |
|
| 2017 |
Christensen AS, Kromann JC, Jensen JH, Cui Q. Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods. The Journal of Chemical Physics. 147: 161704. PMID 29096452 DOI: 10.1063/1.4985605 |
0.346 |
|
| 2017 |
Bratholm LA, Jensen JH. Protein structure refinement using a quantum mechanics-based chemical shielding predictor. Chemical Science. 8: 2061-2072. PMID 28451325 DOI: 10.1039/C6Sc04344E |
0.331 |
|
| 2017 |
Jensen JH, Swain CJ, Olsen L. Prediction of pKa Values for Drug-Like Molecules Using Semiempirical Quantum Chemical Methods. The Journal of Physical Chemistry. A. PMID 28054775 DOI: 10.1021/Acs.Jpca.6B10990 |
0.305 |
|
| 2016 |
Kromann JC, Larsen F, Moustafa H, Jensen JH. Prediction of pKa values using the PM6 semiempirical method. Peerj. 4: e2335. PMID 27602298 DOI: 10.7717/Peerj.2335 |
0.354 |
|
| 2016 |
Kromann JC, Christensen AS, Cui Q, Jensen JH. Towards a barrier height benchmark set for biologically relevant systems. Peerj. 4: e1994. PMID 27168993 DOI: 10.7717/Peerj.1994 |
0.364 |
|
| 2015 |
Larsen AS, Bratholm LA, Christensen AS, Channir M, Jensen JH. ProCS15: a DFT-based chemical shift predictor for backbone and Cβ atoms in proteins. Peerj. 3: e1344. PMID 26623185 DOI: 10.7717/Peerj.1344 |
0.342 |
|
| 2015 |
Jensen JH. Predicting accurate absolute binding energies in aqueous solution: thermodynamic considerations for electronic structure methods. Physical Chemistry Chemical Physics : Pccp. 17: 12441-51. PMID 25901455 DOI: 10.1039/C5Cp00628G |
0.337 |
|
| 2015 |
Bratholm LA, Christensen AS, Hamelryck T, Jensen JH. Bayesian inference of protein structure from chemical shift data. Peerj. 3: e861. PMID 25825683 DOI: 10.7717/Peerj.861 |
0.31 |
|
| 2014 |
Ugur I, Marion A, Parant S, Jensen JH, Monard G. Rationalization of the pKa values of alcohols and thiols using atomic charge descriptors and its application to the prediction of amino acid pKa's. Journal of Chemical Information and Modeling. 54: 2200-13. PMID 25089727 DOI: 10.1021/Ci500079W |
0.344 |
|
| 2014 |
Kromann JC, Christensen AS, Steinmann C, Korth M, Jensen JH. A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+. Peerj. 2: e449. PMID 25024918 DOI: 10.7717/Peerj.449 |
0.635 |
|
| 2014 |
Christensen AS, Steinmann C, Fedorov DG, Jensen JH. Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method. Plos One. 9: e88800. PMID 24558430 DOI: 10.1371/Journal.Pone.0088800 |
0.645 |
|
| 2013 |
Pruitt SR, Steinmann C, Jensen JH, Gordon MS. Fully Integrated Effective Fragment Molecular Orbital Method. Journal of Chemical Theory and Computation. 9: 2235-2249. PMID 26583717 DOI: 10.1021/Ct4001119 |
0.779 |
|
| 2013 |
Christensen AS, Linnet TE, Borg M, Boomsma W, Lindorff-Larsen K, Hamelryck T, Jensen JH. Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics. Plos One. 8: e84123. PMID 24391900 DOI: 10.1371/Journal.Pone.0084123 |
0.383 |
|
| 2013 |
Andersson MP, Jensen JH, Stipp SL. Predicting pKa for proteins using COSMO-RS. Peerj. 1: e198. PMID 24244915 DOI: 10.7717/Peerj.198 |
0.318 |
|
| 2013 |
Hediger MR, Steinmann C, De Vico L, Jensen JH. A computational method for the systematic screening of reaction barriers in enzymes: searching for Bacillus circulans xylanase mutants with greater activity towards a synthetic substrate. Peerj. 1: e111. PMID 23904990 DOI: 10.7717/Peerj.111 |
0.612 |
|
| 2013 |
Steinmann C, Blædel KL, Christensen AS, Jensen JH. Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program. Plos One. 8: e67725. PMID 23844075 DOI: 10.1371/Journal.Pone.0067725 |
0.623 |
|
| 2013 |
Steinmann C, Fedorov DG, Jensen JH. Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistry. Plos One. 8: e60602. PMID 23593259 DOI: 10.1371/Journal.Pone.0060602 |
0.632 |
|
| 2013 |
Hediger MR, Steinmann C, De Vico L, Jensen JH. A computational method for the systematic screening of reaction barriers in enzymes: Searching for Bacillus circulans xylanasemutants with greater activity towards a synthetic substrate Peerj. 2013. DOI: 10.7717/peerj.111 |
0.548 |
|
| 2013 |
Steinmann C, Fedorov DG, Jensen JH. Cross region fragmentation. Plos One. DOI: 10.1371/Journal.Pone.0060602.G003 |
0.547 |
|
| 2013 |
Jensen JH, Kromann JC. The molecule calculator: A web application for fast quantum mechanics-based estimation of molecular properties Journal of Chemical Education. 90: 1093-1095. DOI: 10.1021/Ed400164N |
0.375 |
|
| 2013 |
Pruitt SR, Steinmann C, Jensen JH, Gordon MS. Fully integrated effective fragment molecular orbital method Journal of Chemical Theory and Computation. 9: 2235-2249. DOI: 10.1021/ct4001119 |
0.767 |
|
| 2012 |
Hediger MR, De Vico L, Svendsen A, Besenmatter W, Jensen JH. A Computational Methodology to Screen Activities of Enzyme Variants Plos One. 7. PMID 23284627 DOI: 10.1371/Journal.Pone.0049849 |
0.346 |
|
| 2012 |
Steinmann C, Ibsen MW, Hansen AS, Jensen JH. FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations Plos One. 7. PMID 23028546 DOI: 10.1371/Journal.Pone.0044480 |
0.642 |
|
| 2012 |
Steinmann C, Fedorov DG, Jensen JH. The effective fragment molecular orbital method for fragments connected by covalent bonds. Plos One. 7: e41117. PMID 22844433 DOI: 10.1371/Journal.Pone.0041117 |
0.679 |
|
| 2011 |
Christensen AS, Sauer SP, Jensen JH. Definitive Benchmark Study of Ring Current Effects on Amide Proton Chemical Shifts. Journal of Chemical Theory and Computation. 7: 2078-2084. PMID 26606479 DOI: 10.1021/Ct2002607 |
0.354 |
|
| 2011 |
Rostkowski M, Olsson MH, Søndergaard CR, Jensen JH. Graphical analysis of pH-dependent properties of proteins predicted using PROPKA. Bmc Structural Biology. 11: 6. PMID 21269479 DOI: 10.1186/1472-6807-11-6 |
0.312 |
|
| 2010 |
Steinmann C, Fedorov DG, Jensen JH. Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methods. The Journal of Physical Chemistry. A. 114: 8705-12. PMID 20446697 DOI: 10.1021/Jp101498M |
0.661 |
|
| 2010 |
Li H, Fedorov DG, Nagata T, Kitaura K, Jensen JH, Gordon MS. Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. Journal of Computational Chemistry. 31: 778-90. PMID 19569184 DOI: 10.1002/Jcc.21363 |
0.528 |
|
| 2010 |
Kemp DD, Rintelman JM, Gordon MS, Jensen JH. Exchange repulsion between effective fragment potentials and ab initio molecules Theoretical Chemistry Accounts. 125: 481-491. DOI: 10.1007/S00214-009-0660-7 |
0.759 |
|
| 2010 |
GORDON MS, CARROLL MT, JENSEN JH, DAVIS LP, BURGGRAF LW, GUIDRY RM. ChemInform Abstract: Nature of the Si-N Bond in Silatranes Cheminform. 22: no-no. DOI: 10.1002/chin.199144049 |
0.566 |
|
| 2009 |
Fedorov DG, Avramov PV, Jensen JH, Kitaura K. Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method Chemical Physics Letters. 477: 169-175. DOI: 10.1016/J.Cplett.2009.06.072 |
0.422 |
|
| 2008 |
Fedorov DG, Jensen JH, Deka RC, Kitaura K. Covalent bond fragmentation suitable to describe solids in the fragment molecular orbital method. The Journal of Physical Chemistry. A. 112: 11808-16. PMID 18942816 DOI: 10.1021/Jp805435N |
0.383 |
|
| 2008 |
Langkilde A, Kristensen SM, Lo Leggio L, Mølgaard A, Jensen JH, Houk AR, Navarro Poulsen JC, Kauppinen S, Larsen S. Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase. Acta Crystallographica. Section D, Biological Crystallography. 851-63. PMID 18645234 DOI: 10.1107/S0907444908017083 |
0.344 |
|
| 2008 |
Cehovin A, Mera H, Jensen JH, Stokbro K, Pedersen TB. Role of the virtual orbitals and HOMO-LUMO gap in mean-field approximations to the conductance of molecular junctions Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.195432 |
0.349 |
|
| 2007 |
Xia J, Daly RP, Chuang FC, Parker L, Jensen JH, Margulis CJ. Sugar Folding: A Novel Structural Prediction Tool for Oligosaccharides and Polysaccharides 2. Journal of Chemical Theory and Computation. 3: 1629-43. PMID 26633232 DOI: 10.1021/Ct700034Q |
0.346 |
|
| 2007 |
Xia J, Daly RP, Chuang FC, Parker L, Jensen JH, Margulis CJ. Sugar Folding: A Novel Structural Prediction Tool for Oligosaccharides and Polysaccharides 1. Journal of Chemical Theory and Computation. 3: 1620-8. PMID 26633231 DOI: 10.1021/Ct700033Y |
0.369 |
|
| 2007 |
Kongsted J, Ryde U, Wydra J, Jensen JH. Prediction and rationalization of the pH dependence of the activity and stability of family 11 xylanases. Biochemistry. 46: 13581-92. PMID 17960918 DOI: 10.1021/Bi7016365 |
0.527 |
|
| 2007 |
Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA. PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Research. 35: W522-5. PMID 17488841 DOI: 10.1093/Nar/Gkm276 |
0.34 |
|
| 2007 |
Gordon MS, Slipchenko L, Li H, Jensen JH. Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions Annual Reports in Computational Chemistry. 3: 177-193. DOI: 10.1016/S1574-1400(07)03010-1 |
0.518 |
|
| 2006 |
Parker LL, Houk AR, Jensen JH. Cooperative hydrogen bonding effects are key determinants of backbone amide proton chemical shifts in proteins. Journal of the American Chemical Society. 128: 9863-72. PMID 16866544 DOI: 10.1021/Ja0617901 |
0.339 |
|
| 2006 |
Powers N, Jensen JH. Chemically accurate protein structures: validation of protein NMR structures by comparison of measured and predicted pKa values. Journal of Biomolecular Nmr. 35: 39-51. PMID 16791739 DOI: 10.1007/S10858-006-9003-3 |
0.307 |
|
| 2006 |
Li H, Gordon MS, Jensen JH. Charge transfer interaction in the effective fragment potential method. The Journal of Chemical Physics. 124: 214108. PMID 16774399 DOI: 10.1063/1.2196884 |
0.503 |
|
| 2006 |
Fedorov DG, Kitaura K, Li H, Jensen JH, Gordon MS. The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). Journal of Computational Chemistry. 27: 976-85. PMID 16604514 DOI: 10.1002/Jcc.20406 |
0.54 |
|
| 2006 |
Porter MA, Hall JR, Locke JC, Jensen JH, Molina PA. Hydrogen bonding is the prime determinant of carboxyl pKa values at the N-termini of alpha-helices. Proteins. 63: 621-35. PMID 16447255 DOI: 10.1002/Prot.20879 |
0.314 |
|
| 2006 |
Colvin ME, Cramer CJ, Dykstra CE, Jensen JH, Krimm S, Rivail JL, Thakkar AJ, Yáñez M. Molecular quantum mechanics to biodynamics: Essential connections Journal of Molecular Structure: Theochem. 764: 1-8. DOI: 10.1016/J.Theochem.2006.01.037 |
0.309 |
|
| 2005 |
Jensen JH, Li H, Robertson AD, Molina PA. Prediction and rationalization of protein pKa values using QM and QM/MM methods. The Journal of Physical Chemistry. A. 109: 6634-43. PMID 16834015 DOI: 10.1021/Jp051922X |
0.429 |
|
| 2004 |
Li H, Jensen JH. Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: new energy gradients and molecular surface tessellation. Journal of Computational Chemistry. 25: 1449-62. PMID 15224389 DOI: 10.1002/Jcc.20072 |
0.321 |
|
| 2004 |
Li H, Webb SP, Ivanic J, Jensen JH. Determinants of the relative reduction potentials of type-1 copper sites in proteins. Journal of the American Chemical Society. 126: 8010-9. PMID 15212551 DOI: 10.1021/Ja049345Y |
0.623 |
|
| 2004 |
Li H, Robertson AD, Jensen JH. The determinants of carboxyl pKa values in turkey ovomucoid third domain. Proteins. 55: 689-704. PMID 15103631 DOI: 10.1002/Prot.20032 |
0.354 |
|
| 2003 |
Molina PA, Li H, Jensen JH. Intraprotein electrostatics derived from first principles: divide-and-conquer approaches for QM/MM calculations. Journal of Computational Chemistry. 24: 1971-9. PMID 14531051 DOI: 10.1002/Jcc.10333 |
0.397 |
|
| 2003 |
Huang JH, Luci JJ, Lee TY, Swenson DC, Jensen JH, Messerle L. A planar tetracoordinate carbon and unusual bonding in an organodimetallic propynylidene complex arising from double C-H activation of an allene ligand. Journal of the American Chemical Society. 125: 1688-9. PMID 12580580 DOI: 10.1021/Ja020369J |
0.3 |
|
| 2003 |
Molina PA, Jensen JH. A predictive model of strong hydrogen bonding in proteins: The Nδ1-H-Oδ1 hydrogen bond in low-pH α-chymotrypsin and α-lytic protease Journal of Physical Chemistry B. 107: 6226-6233. DOI: 10.1021/Jp0340663 |
0.348 |
|
| 2003 |
Li H, Pomelli CS, Jensen JH. Continuum solvation of large molecules described by QM/MM: A semi-iterative implementation of the PCM/EFP interface Theoretical Chemistry Accounts. 109: 71-84. DOI: 10.1007/S00214-002-0427-X |
0.332 |
|
| 2003 |
Molina PA, Sikorski RS, Jensen JH. NMR chemical shifts in the low-pH form of α-chymotrypsin. A QM/MM and ONIOM-NMR study Theoretical Chemistry Accounts. 109: 100-107. DOI: 10.1007/S00214-002-0415-1 |
0.368 |
|
| 2002 |
Kohen A, Jensen JH. Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling. Journal of the American Chemical Society. 124: 3858-64. PMID 11942822 DOI: 10.1021/Ja016909E |
0.334 |
|
| 2002 |
Li H, Hains AW, Everts JE, Robertson AD, Jensen JH. The prediction of protein pKa's using QM/MM: The pKa of lysine 55 in turkey ovomucoid third domain Journal of Physical Chemistry B. 106: 3486-3494. DOI: 10.1021/Jp013995W |
0.367 |
|
| 2002 |
Li H, Jensen JH. Partial Hessian vibrational analysis: The localization of the molecular vibrational energy and entropy Theoretical Chemistry Accounts. 107: 211-219. DOI: 10.1007/S00214-001-0317-7 |
0.35 |
|
| 2001 |
Jensen JH. Intermolecular exchange-induction and charge transfer: Derivation of approximate formulas using nonorthogonal localized molecular orbitals Journal of Chemical Physics. 114: 8775-8783. DOI: 10.1063/1.1356017 |
0.366 |
|
| 2001 |
Minikis RM, Kairys V, Jensen JH. Accurate intraprotein electrostatics derived from first principles: An effective fragment potential method study of the proton affinities of lysine 55 and tyrosine 20 in turkey ovomucoid third domain Journal of Physical Chemistry A. 105: 3829-3837. DOI: 10.1021/Jp0032659 |
0.37 |
|
| 2001 |
Gordon MS, Freitag MA, Bandyopadhyay P, Jensen JH, Kairys V, Stevens WJ. The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry Journal of Physical Chemistry A. 105: 306-307. |
0.701 |
|
| 2000 |
Freitag MA, Gordon MS, Jensen JH, Stevens WJ. Evaluation of charge penetration between distributed multipolar expansions Journal of Chemical Physics. 112: 7300-7306. DOI: 10.1063/1.481370 |
0.744 |
|
| 2000 |
Remer LC, Jensen JH. Toward a general theory of hydrogen bonding: The short, strong hydrogen bond [HOH⋯OH]- Journal of Physical Chemistry A. 104: 9266-9275. DOI: 10.1021/Jp002726N |
0.361 |
|
| 2000 |
Kairys V, Jensen JH. QM/MM boundaries across covalent bonds: A frozen localized molecular orbital-based approach for the effective fragment potential method Journal of Physical Chemistry A. 104: 6656-6665. DOI: 10.1021/Jp000887L |
0.408 |
|
| 2000 |
Gordon MS, Jensen JH. Perspective on "The physical nature of the chemical bond" Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 103: 248-251. DOI: 10.1007/s002149900034 |
0.361 |
|
| 2000 |
Gordon MS, Jensen JH. Perspective on “The physical nature of the chemical bond” Theoretical Chemistry Accounts. 103: 248-251. DOI: 10.1007/978-3-662-10421-7_25 |
0.463 |
|
| 2000 |
Minikis RM, Jensen JH. Toward a General Theory of Hydrogen Bonding: A Study of Hydrogen Bonds Involving H2O and HF International Journal of Quantum Chemistry. 76: 341-358. DOI: 10.1002/(Sici)1097-461X(2000)76:3<341::Aid-Qua4>3.0.Co;2-5 |
0.37 |
|
| 1999 |
Kairys V, Jensen JH. Evaluation of the charge penetration energy between non-orthogonal molecular orbitals using the Spherical Gaussian Overlap approximation Chemical Physics Letters. 315: 140-144. DOI: 10.1016/S0009-2614(99)01187-2 |
0.388 |
|
| 1998 |
Jensen JH, Gordon MS. An approximate formula for the intermolecular Pauli repulsion between closed shell molecules. II. Application to the effective fragment potential method The Journal of Chemical Physics. 108: 4772-4782. DOI: 10.1063/1.475888 |
0.51 |
|
| 1998 |
Jacob J, Espenson JH, Jensen JH, Gordon MS. 1,3-Transposition of Allylic Alcohols Catalyzed by Methyltrioxorhenium Organometallics. 17: 1835-1840. DOI: 10.1021/Om971115N |
0.388 |
|
| 1996 |
Jensen J, Gordon M. An approximate formula for the intermolecular Pauli repulsion between closed shell molecules Molecular Physics. 89: 1313-1325. DOI: 10.1080/002689796173200 |
0.476 |
|
| 1996 |
Day PN, Jensen JH, Gordon MS, Webb SP, Stevens WJ, Krauss M, Garmer D, Basch H, Cohen D. An effective fragment method for modeling solvent effects in quantum mechanical calculations The Journal of Chemical Physics. 105: 1968–1986. DOI: 10.1063/1.472045 |
0.712 |
|
| 1996 |
Jensen JH. Modeling intermolecular exchange integrals between nonorthogonal molecular orbitals Journal of Chemical Physics. 104: 7795-7796. DOI: 10.1063/1.471485 |
0.366 |
|
| 1996 |
Gordon MS, Jensen JH. Understanding the Hydrogen Bond Using Quantum Chemistry Accounts of Chemical Research. 29: 536-543. DOI: 10.1021/Ar9600594 |
0.443 |
|
| 1995 |
Kraus GA, Li J, Gordon MS, Jensen JH. Direct Total Syntheses of Frenolicin B and Kalafungin via Highly Regioselective Diels-Alder Reactions The Journal of Organic Chemistry. 60: 1154-1159. DOI: 10.1021/Jo00110A017 |
0.385 |
|
| 1995 |
Jensen JH, Gordon MS. On the Number of Water Molecules Necessary To Stabilize the Glycine Zwitterion Journal of the American Chemical Society. 117: 8159-8170. DOI: 10.1021/Ja00136A013 |
0.461 |
|
| 1995 |
Jensen JH, Gordon MS. Ab Initio Localized Charge Distributions: Theory and a Detailed Analysis of the Water Dimer-Hydrogen Bond The Journal of Physical Chemistry. 99: 8091-8107. DOI: 10.1021/J100020A037 |
0.506 |
|
| 1994 |
Jensen JH, Morokuma K, Gordon MS. Pathways for H2 elimination from ethylene: A theoretical study The Journal of Chemical Physics. 100: 1981-1987. DOI: 10.1063/1.466550 |
0.479 |
|
| 1994 |
Kraus GA, Li J, Gordon M, Jensen JH. Regiocontrol by Remote Substituents. A Direct Total Synthesis of Racemic Hongconin The Journal of Organic Chemistry. 59: 2219-2222. DOI: 10.1021/Jo00087A044 |
0.387 |
|
| 1993 |
Kraus GA, Li J, Gordon MS, Jensen JH. Regiocontrol by remote substituents. An enantioselective total synthesis of frenolicin B via a highly regioselective Diels-Alder reaction Journal of the American Chemical Society. 115: 5859-5860. DOI: 10.1021/Ja00066A078 |
0.432 |
|
| 1993 |
Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA. General atomic and molecular electronic structure system Journal of Computational Chemistry. 14: 1347-1363. DOI: 10.1002/Jcc.540141112 |
0.74 |
|
| 1992 |
Jensen JH, Baldridge KK, Gordon MS. Uncatalyzed peptide bond formation in the gas phase The Journal of Physical Chemistry. 96: 8340-8351. DOI: 10.1021/J100200A025 |
0.641 |
|
| 1991 |
Gordon MS, Carroll MT, Jensen JH, Davis LP, Burggraf LW, Guidry RM. Nature of the silicon-nitrogen bond in silatranes Organometallics. 10: 2657-2660. DOI: 10.1021/Om00054A028 |
0.655 |
|
| 1991 |
Jensen JH, Gordon MS. Conformational potential energy surface of glycine: a theoretical study Journal of the American Chemical Society. 113: 7917-7924. DOI: 10.1021/Ja00021A015 |
0.439 |
|
| 1991 |
Jensen JH, Gordon MS. Splicing I: using mixed basis sets in AB Initio calculations Journal of Computational Chemistry. 12: 421-426. DOI: 10.1002/Jcc.540120403 |
0.423 |
|
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