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Electron Localization Function In Excited States: The Case Of The Ultrafast Proton Transfer Of The Salicylidene Methylamine
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2019 |
11 |
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Interaction Of Nitroxide Radicals With An Au<Sub>8</Sub> Nanostructure: Theoretical And Calorimetric Studies
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2019 |
2 |
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Formation Of Complex Organic Molecules In Ice Mantles: An Ab Initio Molecular Dynamics Study
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Astronomy & Astrophysics
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Spectral Based Analysis Of Progressive Dynamical Changes In The Fetal Heart Rate Signal During Labor By Using Empirical Mode Decomposition
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2018 |
2 |
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Computing In Cardiology
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Reactive Disruption Of The Hippocampal Neurogenic Niche After Induction Of Seizures By Injection Of Kainic Acid In The Amygdala
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12 |
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Frontiers In Cell And Developmental Biology
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Ketamine Treatment During Late Adolescence Impairs Inhibitory Synaptic Transmission In The Prefrontal Cortex And Working Memory In Adult Rats
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10 |
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Frontiers In Cellular Neuroscience
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Influence Of The Channel Size Of Isostructural 3d 4f Mo Fs On The Catalytic Aerobic Oxidation Of Cycloalkenes
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12 |
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New Journal Of Chemistry
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Impact Of Stress On Gamma Oscillations In The Rat Nucleus Accumbens During Spontaneous Social Interaction
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13 |
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Frontiers In Behavioral Neuroscience
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The Pauli Principle And The Confinement Of Electron Pairs In A Double Well: Aspects Of Electronic Bonding Under Pressure
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8 |
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Journal Of Chemical Physics
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Basal Forebrain Gating By Somatostatin Neurons Drives Prefrontal Cortical Activity
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13 |
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Cerebral Cortex
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Basal Forebrain Somatostatin Cells Differentially Regulate Local Gamma Oscillations And Functionally Segregate Motor And Cognitive Circuits
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16 |
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Scientific Reports
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Heterometallic Cu Ii/Ln(iii) Polymers Active In The Catalytic Aerobic Oxidation Of Cycloalkenes Under Solvent Free Conditions
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2018 |
6 |
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Dalton Transactions
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Local Electrophilicity
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14 |
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Solid State Photoluminescence Studies Of [(Eu Lh2) H N(no3)(3)](H2 O)(X) Macrocyclic Complexes With Schiff Base Ligands
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Journal Of Luminescence
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Coordinated Prefrontal Hippocampal Activity And Navigation Strategy Related Prefrontal Firing During Spatial Memory Formation
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34 |
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Proceedings Of The National Academy Of Sciences Of The United States Of America
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Pauli Principle And The Confinement Of Electron Pairs In A Symmetric Double Well Potential
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2018 |
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Synthesis Of Fluorinated Graphene Oxide By Using An Easy One Pot Deoxyfluorination Reaction
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29 |
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Physicochemical Properties Of Mixed Ionic Liquids: Molecular Dynamics Study Of Its Structural Organization
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0 |
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Understanding Chemical Reactivity In Extended Systems: Exploring Models Of Chemical Softness In Carbon Nanotubes
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10 |
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Acta Physico Chimica Sinica
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Magnetic Behaviour Of Bimetallic Layered Phases M'0.2 Mn0.8 Ps3 Center Dot 0.25 H2 O (M' = Zn Ii, Cu Ii, Ni Ii, Co Ii)
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2017 |
4 |
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Dalton Transactions
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Brain State Dependent Recruitment Of High Frequency Oscillations In The Human Hippocampus
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2017 |
13 |
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Cortex
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Facile And Scalable One Step Method For Amination Of Graphene Using Leuckart Reaction
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33 |
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Chemistry Of Materials
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Magnetic Properties Of Composites Based On The Intercalation Of Zn Ii And Cu Ii Bimetallic Macrocyclic Complexes In The Mn Ps3 Phase
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5 |
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Rsc Advances
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Topological Analysis Of The Fukui Function
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19 |
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Applications Of Topological Methods In Molecular Chemistry
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Genome Scale Metabolic Reconstruction For The Insidious Bacterium In Aquaculture Piscirickettsia Salmonis
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10 |
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Bioresource Technology
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Proposal Of A Simple And Effective Local Reactivity Descriptor Through A Topological Analysis Of An Orbital Weighted Fukui Function
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38 |
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Journal Of Computational Chemistry
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Density Functional Theory Of Chemical Reactivity
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2015 |
31 |
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Chemical Modelling: A Specialist Periodical Report, Vol 11
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Ferromagnetic Bond Of Li 10 Cluster: An Alternative Approach In Terms Of Effective Ferromagnetic Sites
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2016 |
3 |
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Journal Of Chemical Physics
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Midline Thalamic Neurons Are Differentially Engaged During Hippocampus Network Oscillations
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18 |
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Scientific Reports
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Insights Into The Hydrogen Dissociation Mechanism On Lithium Edge Decorated Carbon Rings And Graphene Nanoribbon
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12 |
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International Journal Of Hydrogen Energy
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A Numerical Study Of The Lieb Thirring Kinetic Energy Lower Bound
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0 |
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Molecular Physics
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Boron Avoids Cycloalkane Like Structures In The Lin Bn H2n Series
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New Journal Of Chemistry
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Impaired Functional Connectivity In The Prefrontal Cortex: A Mechanism For Chronic Stress Induced Neuropsychiatric Disorders
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43 |
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Neural Plasticity
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Schizophrenia And Reelin: A Model Based On Prenatal Stress To Study Epigenetics, Brain Development And Behavior
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Biological Research
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Lewis Acidity/Basicity Changes In Imidazolium Based Ionic Liquids Brought About By Impurities
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7 |
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Journal Of Physical Chemistry B
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Prenatal Stress Produces Persistence Of Remote Memory And Disrupts Functional Connectivity In The Hippocampal Prefrontal Cortex Axis
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Cerebral Cortex
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First Copper(ii) Phase M ' 0.2 Mn0.8 Ps3 Center Dot 0.25 H(2)o And Analogous M ' = Co Ii, Ni Ii And Zn Ii Materials Obtained By Microwave Assisted Synthesis
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5 |
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Dalton Transactions
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Isobutane As A Probe Of The Structure Of 1 Alkyl 3 Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids
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Journal Of Chemical Thermodynamics
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Exploring The Borderland Between Physics And Chemistry: Theoretical Methods In The Study Of Atomic Clusters
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2 |
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Metallic Systems: A Quantum Chemist's Perspective
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Macrocyclic Zn Ii And Cu Ii Complexes As Guests Of The Hybrid Composites Based On The Layered Mn Ps3 Phase. Comparison Of Spectroscopic Properties
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6 |
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Journal Of Coordination Chemistry
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Reaction Channels And Spectroscopic Constants Of Astrophysical Relevant Silicon Bearing Molecules Si C3 H+ And Si C3 H
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2014 |
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Monthly Notices Of The Royal Astronomical Society
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Regional Electrophilic And Nucleophilic Fukui Functions Efficiently Highlight The Lewis Acidic/Basic Regions In Ionic Liquids
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12 |
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Journal Of Physical Chemistry B
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An Information Theoretic Resolution Of The Ambiguity In The Local Hardness
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25 |
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Physical Chemistry Chemical Physics
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Mechanism Of Fluorophore Quenching In A Pre Fluorescent Nitroxide Probe: A Theoretical Illustration
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15 |
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Chemical Physics Letters
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Ab Lnitio Molecular Dynamics Study Of Small Alkali Metal Clusters
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8 |
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Journal Of Physical Chemistry A
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Magnetic Behavior Of Lamellar Mn Ps3 And Cd Ps3 Composites With A Paramagnetic Manganese(iii) Macrocyclic Guest
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2013 |
4 |
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Journal Of The Chilean Chemical Society
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How To Compute The Fukui Matrix And Function For Systems With (Quasi )Degenerate States
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37 |
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Journal Of Chemical Theory And Computation
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Atomic Charges And The Electrostatic Potential Are Ill Defined In Degenerate Ground States
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2013 |
36 |
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Journal Of Chemical Theory And Computation
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Performance Of Modified Lennard Jones Potential To Seed Ab Initio Calculations Of Small Cadmium Clusters
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2013 |
8 |
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Computational And Theoretical Chemistry
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Comment On "Going Beyond The Frozen Core Approximation: Development Of Coordinate Dependent Pseudopotentials And Application To Na 2(+)" [J. Chem. Phys. 138, 054110 (2013)]
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2 |
material editorial |
Journal Of Chemical Physics
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On The Exponential Model For Energy With Respect To Number Of Electrons
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24 |
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Journal Of Molecular Modeling
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Effect Of Unsaturation On The Absorption Of Ethane And Ethylene In Imidazolium Based Ionic Liquids
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2013 |
29 |
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Journal Of Physical Chemistry B
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Ab Initio Molecular Dynamics Simulations Of Ti 2 On C 20 Collisions And C20 Ti2 Configurations
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2 |
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Journal Of Physical Chemistry C
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A New Isomer Of C 20 And A Way To A New C 240
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2012 |
6 |
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Physical Chemistry Chemical Physics
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Dynamics Of Action Potential Initiation In The Gab Aergic Thalamic Reticular Nucleus In Vivo
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2012 |
19 |
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P Lo S One
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Electron Localization Function As A Measure Of Electron Delocalization And Aromaticity
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2011 |
8 |
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Current Organic Chemistry
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Assembling Small Silicon Clusters Using Criteria Of Maximum Matching Of The Fukui Functions
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2011 |
15 |
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Journal Of Chemical Theory And Computation
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Evidence For An Inhibitory Lim Domain In A Rat Brain Agmatinase Like Protein
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8 |
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Archives Of Biochemistry And Biophysics
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Exploration Of The (Ethanol)(4) Water Heteropentamers Potential Energy Surface By Simulated Annealing And Ab Initio Molecular Dynamics
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2011 |
4 |
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International Journal Of Quantum Chemistry
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Magnetic Behavior Of Mn Ps3 Phases Intercalated By [Zn2 L](2+) (Lh2: Macrocyclic Ligand Obtained By Condensation Of 2 Hydroxy 5 Methyl 1,3 Benzenedicarbaldehyde And 1,2 Diaminobenzene)
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8 |
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Journal Of Solid State Chemistry
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A Computationally Efficient And Reliable Bond Order Measure
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2011 |
8 |
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Journal Of Physical Chemistry A
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Octahedral Complexes Of The Series Of Actinides Hexafluorides An F(6)
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2011 |
16 |
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Chemical Physics Letters
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Big Bang Methodology Applied To Atomic Clusters
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11 |
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International Journal Of Quantum Chemistry
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The Fukui Potential And The Capacity Of Charge And The Global Hardness Of Atoms
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2011 |
43 |
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Journal Of Physical Chemistry A
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Topological Analysis Of The Fukui Function
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2010 |
76 |
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Journal Of Chemical Theory And Computation
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Density Functional Based Reactivity Parameters: Thermodynamic Or Kinetic Concepts?
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22 |
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Journal Of Molecular Structure: Theochem
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Expression Of Coup Tfii Nuclear Receptor In Restricted Gabaergic Neuronal Populations In The Adult Rat Hippocampus
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2010 |
72 |
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Journal Of Neuroscience
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Theoretical Characterization Of Some Amides And Esters Derivatives Of Valproic Acid
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2010 |
1 |
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Journal Of Molecular Modeling
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Endohedral Cluster Of Li10 O With T D Symmetry
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2009 |
3 |
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Journal Of Physical Chemistry A
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On The Gas Phase Electronic Chemical Potential Of Anions
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4 |
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Journal Of Chemical Theory And Computation
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Density Functional Theory With Additional Basic Variables: Extended Legendre Transform
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2009 |
28 |
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Physical Review A Atomic, Molecular, And Optical Physics
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Theoretical Study Of The Structure And Electronic Properties Of Si3 On And Si6 On (N=1 6) Clusters. Fragmentation And Formation Patterns
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2009 |
8 |
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Journal Of Chemical Theory And Computation
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Chemical Reactivity Descriptors For Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, And Electrostatic Potential
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2009 |
131 |
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Modeling Pressure Effects On The Electronic Properties Of Ca, Sr, And Ba By The Confined Atoms Model
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10 |
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Advances In Quantum Chemistry
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On The Nucleophilicity Of Boryllithium Compounds. A Theoretical Study
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14 |
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Journal Of Physical Chemistry A
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Solvent Effects On Global Reactivity Properties For Neutral And Charged Systems Using The Sequential Monte Carlo Quantum Mechanics Model
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20 |
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Journal Of Physical Chemistry B
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A Theoretical Study Of Alkali Metal Atomic Clusters: From Li N To Cs N (N=2 8)
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2009 |
21 |
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International Journal Of Quantum Chemistry
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On The Principle Of Spin Potential Equalization
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3 |
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Journal Of Physical Chemistry A
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Theoretical Ro Vibrational Spectrum Of Cf<Sup>+</Sup>
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10 |
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Spectrochimica Acta Part A Molecular And Biomolecular Spectroscopy
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Effect Of Surface Site On The Spin State Of First Row Transition Metals Adsorbed On Mg O: Embedded Cluster Model And Hybrid Density Functional Theory Calculations
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9 |
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Physical Review B
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Relationship Between The Electrophilicity And Sigma(p) Hammett Constant In Baeyer Villiger Reactions
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2008 |
21 |
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Chemical Physics Letters
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Stochastic Search Of The Quantum Conformational Space Of Small Lithium And Bimetallic Lithium Sodium Clusters
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2008 |
77 |
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Journal Of Physical Chemistry A
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Relativistic Effects On The Hexafluorides Of Group 10 Metals
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20 |
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Chemical Physics Letters
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Chemical Reactivity Of Oxygen Vacancies On The Mg O Surface: Reactions With Co2, No2 And Metals
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2008 |
59 |
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Catalysis Today
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Theoretical Study Of The Surface Reactivity Of Alkaline Earth Oxides/ Local Density Of States Evaluation Of The Local Softness
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30 |
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Journal Of Chemical Physics
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Electronic Structure Of First And Second Row Atoms Under Harmonic Confinement
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2020 |
6 |
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International Journal Of Quantum Chemistry
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Cardiotocographic Signal Feature Extraction Through Ceemdan And Time Varying Autoregressive Spectral Based Analysis For Fetal Welfare Assessment
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12 |
artículo de investigación |
Ieee Access
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Enhancement Of Terbium(iii) Centered Luminescence By Tuning The Triplet Energy Level Of Substituted Pyridylamino 4 R Phenoxo Tripodal Ligands
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23 |
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Inorganic Chemistry
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Effect Of Second Sphere Interactions On The Magnetic Anisotropy Of Lanthanide Single Molecule Magnets: Electrostatic Interactions And Supramolecular Contacts
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2020 |
12 |
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Journal Of Physical Chemistry C
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Independent Analysis Of Decelerations And Resting Periods Through Ceemdan And Spectral Based Feature Extraction Improves Cardiotocographic Assessment
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9 |
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Applied Sciences Basel
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Engineering A Defined Culture Medium To Grow <I>Piscirickettsia Salmonis</I> For Its Use In Vaccine Formulations
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2020 |
3 |
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Journal Of Industrial Microbiology & Biotechnology
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Priming Of Gab Aergic Long Term Potentiation By Muscarinic Receptors
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12 |
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Neuroscience
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Foetal Heart Rate Assessment By Empirical Mode Decomposition And Spectral Analysis
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2019 |
0 |
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Current Directions In Biomedical Engineering
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Scopus |
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Foetal Heart Rate Signal Spectral Analysis By Using Time Varying Autoregressive Modelling
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2018 |
0 |
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Current Directions In Biomedical Engineering
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Density Functional Theory Of Chemical Reactivity
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2015 |
0 |
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Chemical Modelling
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Cardiotocograph Data Classification Improvement By Using Empirical Mode Decomposition
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2019 |
4 |
proceedings paper |
2016 38 Th Annual International Conference Of The Ieee Engineering In Medicine And Biology Society (Embc)
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On The Chemical Potential Of The Hydrogen Atom
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2020 |
0 |
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Theoretical Chemistry Accounts
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Physical Properties Of New Ordered Bimetallic Phases M<Sub>0.25</Sub>Cd<Sub>0.75</Sub>Ps<Sub>3</Sub> (M = Zn<Sup>Ii</Sup>, Ni<Sup>Ii</Sup>, Co<Sup>Ii</Sup>, Mn<Sup>Ii</Sup>)
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3 |
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Physical Chemistry Chemical Physics
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Predicting Deprotonation Sites Using Alchemical Derivatives
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9 |
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Journal Of Physical Chemistry A
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Human Anterior Insula Encodes Performance Feedback And Relays Prediction Error To The Medial Prefrontal Cortex
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19 |
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Cerebral Cortex
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Control Of Magnetic Anisotropy By Macrocyclic Ligand Distortion In A Family Of Dy<Sup>Iii</Sup> And Er<Sup>Iii</Sup> Single Molecule Magnets
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11 |
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Dalton Transactions
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Investigating An Optimal Signal Epoch Length For Cardiotocographic Classification
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2020 |
0 |
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Current Directions In Biomedical Engineering
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Influence Of The Ni<Sup>Ii</Sup>/Mn<Sup>Ii</Sup> Ratio On The Physical Properties Of Heterometallic Ni<Sub>2<I>X</I></Sub>Mn<Sub>(2 2<I>X</I>)</Sub>P<Sub>2</Sub>S<Sub>6</Sub> Phases And Potassium Intercalates K<Sub>0.8</Sub>Ni<Sub>2<I>X</I></Sub>Mn<Sub>(1.6 2<I>X</I>)</Sub>P<Sub>2</Sub>S<Sub>6</Sub>•2 H<Sub>2</Sub>O
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2021 |
0 |
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New Journal Of Chemistry
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Dentate Gyrus Somatostatin Cells Are Required For Contextual Discrimination During Episodic Memory Encoding
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Cerebral Cortex
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2 |
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International Journal Of Quantum Chemistry
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Coulomb Explosion Of Multi Charged Atomic Alkaline Metal Clusters
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0 |
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Journal Of Physical Chemistry A
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Links Among The Fukui Potential, The Alchemical Hardness And The Local Hardness Of An Atom In A Molecule
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2021 |
7 |
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Journal Of Computational Chemistry
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Electronegativity Under Confinement
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1 |
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Molecules
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Thermal Dependence Of The Luminescent Properties Of Mononuclear Tb<Sup>Iii</Sup> Macrocyclic Complexes
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European Journal Of Inorganic Chemistry
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Vascular Auscultation Of Carotid Artery: Towards Biometric Identification And Verification Of Individuals
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Sensors
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Carotid Sound Signal Artifact Detection Based On Discrete Wavelet Transform Decomposition
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2021 |
0 |
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Scopus |
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Bodytune: Multi Auscultation Device Personal Health Parameter Monitoring At Home
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2021 |
0 |
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Effect Of Terbium(iii) Species On The Structure And Physical Properties Of Polyurethane (Tpu)
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Polymer
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Carbon Nanotube Based Reinforced Polymers For Medical Applications: Improving Impact Strength Of Polymer Polymer Composites
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0 |
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Journal Of Nanomaterials
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Lanthanide Sm Ms Based On Belt Macrocycles: Recent Advances And General Trends
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11 |
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Chemistry A European Journal
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Inorganic Chemistry
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Dft Exchange: Sharing Perspectives On The Workhorse Of Quantum Chemistry And Materials Science
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New Journal Of Chemistry
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Towards Identification Of Biometric Properties In Blood Flow Sounds Using Neural Networks And Saliency Maps
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1 |
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Brain Sciences
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Isomorphic Local Hardness And Possible Local Version Of Hard Soft Acids Bases Principle
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Formation Of H<Sub>2</Sub> On Polycyclic Aromatic Hydrocarbons Under Conditions Of The Ism: An Ab Initio Molecular Dynamics Study
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2023 |
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