# | Title | Journal | Year | Citations |
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1 | Expanded sequence dependence of thermodynamic parameters improves prediction of RNA secondary structure | Journal of Molecular Biology | 1999 | 3,486 |
2 | A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation | International Journal of Quantum Chemistry | 1976 | 1,925 |
3 | Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O | Journal of Chemical Physics | 1971 | 1,731 |
4 | TRANSITIONPATHSAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark | Annual Review of Physical Chemistry | 2002 | 1,704 |
5 | Beyond fossil fuel–driven nitrogen transformations | Science | 2018 | 1,379 |
6 | Colorimetric detection of DNA sequences based on electrostatic interactions with unmodified gold nanoparticles | Proceedings of the National Academy of Sciences of the United States of America | 2004 | 1,244 |
7 | Catalysts made of earth-abundant elements (Co, Ni, Fe) for water splitting: Recent progress and future challenges | Energy and Environmental Science | 2012 | 1,201 |
8 | Thermodynamic Parameters for an Expanded Nearest-Neighbor Model for Formation of RNA Duplexes with Watson−Crick Base Pairs† | Biochemistry | 1998 | 1,055 |
9 | Improved predictions of secondary structures for RNA. | Proceedings of the National Academy of Sciences of the United States of America | 1989 | 839 |
10 | MULTIDIMENSIONALFEMTOSECONDCORRELATIONSPECTROSCOPIES OFELECTRONIC ANDVIBRATIONALEXCITATIONS | Annual Review of Physical Chemistry | 2000 | 796 |
11 | The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H− | Journal of Chemical Physics | 1977 | 785 |
12 | Methods and Mechanisms for Cross-Electrophile Coupling of Csp2 Halides with Alkyl Electrophiles | Accounts of Chemical Research | 2015 | 782 |
13 | Robust Photogeneration of H 2 in Water Using Semiconductor Nanocrystals and a Nickel Catalyst | Science | 2012 | 716 |
14 | The structure of water dimer from molecular beam electric resonance spectroscopy | Journal of Chemical Physics | 1977 | 706 |
15 | Label-Free Colorimetric Detection of Specific Sequences in Genomic DNA Amplified by the Polymerase Chain Reaction | Journal of the American Chemical Society | 2004 | 635 |
16 | RNA Structure Prediction | Annual Review of Biophysics and Biophysical Chemistry | 1988 | 627 |
17 | Tuning the Excited-State Properties of Platinum(II) Diimine Dithiolate Complexes | Journal of the American Chemical Society | 1996 | 619 |
18 | The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems | Journal of Chemical Theory and Computation | 2013 | 588 |
19 | Making Hydrogen from Water Using a Homogeneous System Without Noble Metals | Journal of the American Chemical Society | 2009 | 583 |
20 | Non-blinking semiconductor nanocrystals | Nature | 2009 | 570 |
21 | Two‐dimensional femtosecond vibrational spectroscopy of liquids | Journal of Chemical Physics | 1993 | 559 |
22 | Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl Halides | Journal of the American Chemical Society | 2013 | 521 |
23 | Density Matrix Analysis and Simulation of Electronic Excitations in Conjugated and Aggregated Molecules | Chemical Reviews | 2002 | 519 |
24 | Decoherence-induced surface hopping | Journal of Chemical Physics | 2012 | 491 |
25 | N 2 Reduction and Hydrogenation to Ammonia by a Molecular Iron-Potassium Complex | Science | 2011 | 482 |
26 | Cross-Electrophile Coupling: Principles of Reactivity and Selectivity | Journal of Organic Chemistry | 2014 | 475 |
27 | Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction | Journal of Chemical Theory and Computation | 2014 | 472 |
28 | Electron–phonon interaction in efficient perovskite blue emitters | Nature Materials | 2018 | 472 |
29 | Coaxial stacking of helixes enhances binding of oligoribonucleotides and improves predictions of RNA folding. | Proceedings of the National Academy of Sciences of the United States of America | 1994 | 469 |
30 | Isotope Effects in C−H Bond Activation Reactions by Transition Metals | Accounts of Chemical Research | 2003 | 465 |
31 | Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces | Chemical Reviews | 2013 | 455 |
32 | The Nazarov cyclization in organic synthesis. Recent advances | Tetrahedron | 2005 | 452 |
33 | Factors Contributing to Aromatic Stacking in Water: Evaluation in the Context of DNA | Journal of the American Chemical Society | 2000 | 446 |
34 | An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C−H Activation with [Cp*MCl2]2 (M = Rh, Ir) | Journal of the American Chemical Society | 2008 | 442 |
35 | A Homogeneous System for the Photogeneration of Hydrogen from Water Based on a Platinum(II) Terpyridyl Acetylide Chromophore and a Molecular Cobalt Catalyst | Journal of the American Chemical Society | 2008 | 433 |
36 | A Molecular Iron Catalyst for the Acceptorless Dehydrogenation and Hydrogenation of N-Heterocycles | Journal of the American Chemical Society | 2014 | 429 |
37 | Covalency in f-element complexes | Coordination Chemistry Reviews | 2013 | 415 |
38 | Platinum Diimine Bis(acetylide) Complexes: Synthesis, Characterization, and Luminescence Properties | Inorganic Chemistry | 2000 | 400 |
39 | Femtosecond Electron-Transfer Dynamics at a Sensitizing Dye−Semiconductor (TiO2) Interface | The Journal of Physical Chemistry | 1996 | 399 |
40 | Platinum diimine complexes: towards a molecular photochemical device | Coordination Chemistry Reviews | 2000 | 392 |
41 | Toward a Molecular Photochemical Device: A Triad for Photoinduced Charge Separation Based on a Platinum Diimine Bis(acetylide) Chromophore | Inorganic Chemistry | 2001 | 391 |
42 | Simultaneous Fluorescence and Raman Scattering from Single Carbon Nanotubes | Science | 2003 | 391 |
43 | Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine−Nicotinamide Complex | Journal of the American Chemical Society | 2004 | 386 |
44 | Nickel-Catalyzed Reductive Cross-Coupling of Aryl Halides with Alkyl Halides | Journal of the American Chemical Society | 2010 | 384 |
45 | Rolling Circle DNA Synthesis: Small Circular Oligonucleotides as Efficient Templates for DNA Polymerases | Journal of the American Chemical Society | 1996 | 382 |
46 | A Cobalt–Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of Protons | Journal of the American Chemical Society | 2011 | 364 |
47 | Visible Light-Driven Hydrogen Production from Aqueous Protons Catalyzed by Molecular Cobaloxime Catalysts | Inorganic Chemistry | 2009 | 347 |
48 | Molecular systems for light driven hydrogen production | Dalton Transactions | 2012 | 346 |
49 | Recent developments in the homogeneous reduction of dinitrogen by molybdenum and iron | Nature Chemistry | 2013 | 345 |
50 | Decarboxylative Cross-Electrophile Coupling of N-Hydroxyphthalimide Esters with Aryl Iodides | Journal of the American Chemical Society | 2016 | 345 |