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How accurate are static polarizability predictions from density functional theory? An assessment over 132 species at equilibrium geometry
How accurate are static polarizability predictions from density functional theory? An assessment over 132 species at equilibrium geometry
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How accurate are static polarizability predictions from density functional theory? An assessment over 132 species at equilibrium geometry

Hait, Diptarka ; Head-Gordon, Martin

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (30), p.19800-19810 [Periódico revisado por pares]

England: Royal Society of Chemistry

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2
Understanding specific ion effects and the Hofmeister series
Understanding specific ion effects and the Hofmeister series
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Understanding specific ion effects and the Hofmeister series

Gregory, Kasimir P ; Elliott, Gareth R ; Robertson, Hayden ; Kumar, Anand ; Wanless, Erica J ; Webber, Grant B ; Craig, Vincent S. J ; Andersson, Gunther G ; Page, Alister J

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (21), p.12682-12718 [Periódico revisado por pares]

England: Royal Society of Chemistry

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3
Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7–177.5 K): experimental and theoretical study
Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7–177.5 K): experimental and theoretical study
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Gas-phase reactivity of CH3OH toward OH at interstellar temperatures (11.7–177.5 K): experimental and theoretical study

Ocaña, Antonio J ; Blázquez, Sergio ; Potapov, Alexey ; Ballesteros, Bernabé ; Canosa, André ; Antiñolo, María ; Vereecken, Luc ; Albaladejo, José ; Jiménez, Elena

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (13), p.6942-6957 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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4
New electron delocalization tools to describe the aromaticity in porphyrinoids
New electron delocalization tools to describe the aromaticity in porphyrinoids
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New electron delocalization tools to describe the aromaticity in porphyrinoids

Casademont-Reig, Irene ; Woller, Tatiana ; Contreras-García, Julia ; Alonso, Mercedes ; Torrent-Sucarrat, Miquel ; Matito, Eduard

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (4), p.2787-2796 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
Comparing molecules and solids across structural and alchemical space
Comparing molecules and solids across structural and alchemical space
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Comparing molecules and solids across structural and alchemical space

De, Sandip ; Bartók, Albert P ; Csányi, Gábor ; Ceriotti, Michele

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (20), p.13754-13769 [Periódico revisado por pares]

England

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6
Metal-oxide-semiconductor based gas sensors: screening, preparation, and integration
Metal-oxide-semiconductor based gas sensors: screening, preparation, and integration
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Metal-oxide-semiconductor based gas sensors: screening, preparation, and integration

Zhang, Jian ; Qin, Ziyu ; Zeng, Dawen ; Xie, Changsheng

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (9), p.6313-6329 [Periódico revisado por pares]

England

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7
Carbon nitrides: synthesis and characterization of a new class of functional materials
Carbon nitrides: synthesis and characterization of a new class of functional materials
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Carbon nitrides: synthesis and characterization of a new class of functional materials

Miller, T. S ; Jorge, A. Belen ; Suter, T. M ; Sella, A ; Corà, F ; McMillan, P. F

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (24), p.15613-15638 [Periódico revisado por pares]

England

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8
Chemical kinetics in an atmospheric pressure helium plasma containing humidity
Chemical kinetics in an atmospheric pressure helium plasma containing humidity
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Chemical kinetics in an atmospheric pressure helium plasma containing humidity

Schröter, Sandra ; Wijaikhum, Apiwat ; Gibson, Andrew R ; West, Andrew ; Davies, Helen L ; Minesi, Nicolas ; Dedrick, James ; Wagenaars, Erik ; de Oliveira, Nelson ; Nahon, Laurent ; Kushner, Mark J ; Booth, Jean-Paul ; Niemi, Kari ; Gans, Timo ; O'Connell, Deborah

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (37), p.24263-24286 [Periódico revisado por pares]

England: Royal Society of Chemistry

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9
Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies
Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies
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Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies

DILABIO, Gino A ; JOHNSON, Erin R ; OTERO-DE-LA-ROZA, Alberto

Physical chemistry chemical physics : PCCP, 2013-08, Vol.15 (31), p.12821-12828 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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10
A switchable terahertz device combining ultra-wideband absorption and ultra-wideband complete reflection
A switchable terahertz device combining ultra-wideband absorption and ultra-wideband complete reflection
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A switchable terahertz device combining ultra-wideband absorption and ultra-wideband complete reflection

Zheng, Zhipeng ; Zheng, Ying ; Luo, Yao ; Yi, Zao ; Zhang, Jianguo ; Liu, Zhimin ; Yang, Wenxing ; Yu, Yang ; Wu, Xianwen ; Wu, Pinghui

Physical chemistry chemical physics : PCCP, 2022-01, Vol.24 (4), p.2527-2533 [Periódico revisado por pares]

England: Royal Society of Chemistry

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